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― CBLB_895
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Rule of Five (Ro5)
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MCF
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)N5CC6CCC(C5)N6C)C(F)(F)F
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CN1CC2CCC(C1)N2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C)C(F)(F)F
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CN1CC2CCC(C1)N2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C(C)(F)C(F)(F)C6=NN=C[N]6C)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(C=C5C4=O)C6=CN7CCC6CC7)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(C=C5C4=O)C6CN7CCC6CC7)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(CN6CC7CC6CO7)C=C5C4=O)C(F)(F)F
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CN1CC2CC1CN2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C)C(F)(F)F
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CN1CC2CC(C1)N2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C(C)(F)C(F)(F)C6=NN=C[N]6C)C(F)(F)F
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CN1CC2CC1CN2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C(C)(F)C(F)(F)C6=NN=C[N]6C)C(F)(F)F
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CN1CC2CC1CN2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C(C)(F)C(F)(F)C6=NN=C[N]6C)C(F)(F)F
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CN1CC2CCC1CN2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C)C(F)(F)F
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CN1CC2CCC1CN2C3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C(C)(F)C(F)(F)C6=NN=C[N]6C)C(F)(F)F
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CNC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CCNC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CC(C)NC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NCCO)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CO)NC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CC(CO)NC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CC(O)CNC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3CCC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3COC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3(C)COC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3CCC3O)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3CCC3O)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3CCOC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3CCOC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3CC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3(C)CC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3CCOC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3CCOCC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3=CCOCC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CCOC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CCCOC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(C)CC4=NN=C[N]4C
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)OCCO)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)OCC(F)F)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)OC3COC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)OC3COC3C)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)C5=CN=CS5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5=CC=N[NH]5)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5=N[NH]C=C5C)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5=C(C)[NH]N=C5)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5=C(C)[NH]N=C5C)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(C=C5C4=O)C6=C(C)[NH]N=C6C)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3=C(C)C=N[NH]3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=NC(=C2)C3=C[NH]N=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)[N]5C=CC=N5)C(F)(F)F
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C[N]1C=C2N(CCCC2=N1)CC3=CC(=C4CN(C(=O)C4=C3)C5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(CN6CCCC7=C6C=N[N]7C)C=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1C2=C([N](C)N=C2)C3=CC=CC(=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC1CN(CCO1)CC2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C5=C(C=N[N]5C)C6=NN=C[N]6C)C(F)(F)F
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CC1CN(CC(C)O1)CC2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C5=C(C=N[N]5C)C6=NN=C[N]6C)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(CN6CCC7=C(C6)N=C(C)O7)C=C5C4=O)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NOC=C1CO)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C(=O)N5CCC(O)C5)C(F)(F)F
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CC(CC1=NOC=C1C(F)(F)F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C(=O)N5CCC(O)C5)C(F)(F)F
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CC(CC1=NOC=C1C(F)(F)F)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)C5)C=C4C3=O)C(F)(F)F
MCF
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CC1=CON=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(CN6CCC7(CC7)C6)C=C5C4=O)C(F)(F)F
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CC(CC1=C(C)[NH]C=N1)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=C(C)[NH]C=N1)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NC=CO1)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=CS1)C2=CC(=CC=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(CC1=NN=CO1)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=N[NH]C=C1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C(=O)N5CCC(O)C5)C(F)(F)F
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CC1CC(O)CN1C(=O)C2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C(C)CC5=N[NH]C=C5C)C(F)(F)F
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CC(CC1=N[NH]C=C1C(F)(F)F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C(=O)N5CCC(O)C5)C(F)(F)F
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CC(CC1=N[NH]C=C1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=N[NH]C=C1CO)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=N[NH]C=C1CO)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=N[NH]C=C1CO)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)F
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CC(SC1=NN=C[N]1C)C2=CC(=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)F
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CC(SC1=NN=C[N]1C)C2=CC(=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)F
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CC(SC1=NN=C[N]1C)C2=CC(=C(F)C=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=C(F)C=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC(=C4)Cl)C3=O
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CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(Cl)C=C4)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)N3CC4=C(C=C(C=C4)C(C)(C)O)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=NC=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=NC=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CC(SC1=NN=C[N]1C)C2=CC(=NC(=C2)N)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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CCNC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C(F)(F)F)C2=O)C(C)SC4=NN=C[N]4C
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CNC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C(F)(F)F)C2=O)C(C)SC4=NN=C[N]4C
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CC(CO)NC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C(F)(F)F)C2=O)C(C)SC4=NN=C[N]4C
Ro5
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Substructure Search
Nearest Neighbor Search
CC(SC1=NN=C[N]1C)C2=CC(=NC(=C2)NCCO)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
Ro5
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Substructure Search
Nearest Neighbor Search
CC(O)CNC1=CC(=CC(=N1)N2CC3=C(C=CC=C3C(F)(F)F)C2=O)C(C)SC4=NN=C[N]4C
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Substructure Search
Nearest Neighbor Search
CC(SC1=NN=C[N]1C)C2=CC(=NC(=C2)NC3CCOC3)N4CC5=C(C=CC=C5C(F)(F)F)C4=O
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Substructure Search
Nearest Neighbor Search
CNC(=O)C1=CC2=C(CN(C2=O)C3=NC=CC(=C3)C(C)SC4=NN=C[N]4C)C=C1
Ro5
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Substructure Search
Nearest Neighbor Search
CC(SC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CN=C4Cl)C3=O
Ro5
MCF
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Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1OC2(COC2)C3=CC=CC(=C3)N4CC5=C(C=C(CN6CCC(F)CC6)C=C5C4=O)C(F)(F)F
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Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC(=NC=C2)C(=O)NC3=CC=CC(=N3)C(F)(F)F
Ro5
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Substructure Search
Nearest Neighbor Search
CC(CC1=NN=C[N]1C)C2=CC(=NC=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
Ro5
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