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― CBLB_895
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Rule of Five (Ro5)
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MCF
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)NC4CCC(O)C4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)NC4CCNC4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)NC4CCNC4
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CNCCNC(=O)C1=CC(=NC=C1)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)NCC(C)(C)O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)NC4CCOC4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=C(F)C=CC(=C3)C(=O)N4CCC(O)C4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC5(COC5)C4
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC5(CCO5)C4
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)C(=O)NC4=NC(=CC=C4)C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)C(=O)NC4=NC(=CC=C4)C5CC5
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)CN5CC6CC6C5)C7CC7
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)CN5CC6C(C5)C6(F)F)C7CC7
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CC5C(O)C5C4
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)CN5CCC6CC56)C7CC7
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CC(CC1=N[NH]C=N1)C2=CC=CC(=C2)NC(=O)C3=NC(=C(C)C=C3)C4CC4
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CCOC1=NC(=CC(=C1)C(C)(F)C(F)(F)C2=NN=C[N]2C)NC(=O)C3=NC(=NC(=C3)C)C4CC4
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC(=CC=C2)NC(=O)C3=NC(=NC(=C3)CN4CCC(F)C4)C5CC5
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CN1CCN(CC1)C2=CC(=NC(=N2)C3CC3)C(=O)NC4=CC(=CC=C4)C5(COC5)CC6=NN=C[N]6C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC(=N4)C5CC5)N6CC(C6)C(F)F
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CN1CC2CC(C1)N2C3=CC(=NC(=N3)C4CC4)C(=O)NC5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C
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CN1CC2CCC(C1)N2C3=CC(=NC(=N3)C4CC4)C(=O)NC5=CC(=CC=C5)C6(COC6)CC7=NN=C[N]7C
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C[N]1C=NN=C1C2=C([N](C)N=C2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)C)C5CC5
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CC(CC1=NN=CS1)C2=CC(=CC=C2)NC(=O)C3=NC(=NC(=C3)C)C4CC4
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CC1=CC(=NC(=N1)C2CC2)C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=N[NH]C=C5C
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=C(C)C=C3)C4CC4
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=C(C)C=C3)C4CC4
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC(=C(C)C=C3)C4CC4
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(O)C4
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CC(CC1=NC=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=CC(=C3)C(=O)N4CCC(O)C4
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CC1CC(O)CN1C(=O)C2=CC(=NC=C2)C(=O)NC3=CC(=CC=C3)C(C)CC4=NC=C[N]4C
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC4=CC(=CC=C4C=N3)N5CCNCC5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=C4C=CC(=CC4=C3)N5CCN(C)C(=O)C5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=C4C=CC(=CC4=C3)N5CCN(C)C(=O)C5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC4=CC(=CC=C4C=N3)N5CCN(CC5)C(C)=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=N3
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC(=N[NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=N[N](C)C=C3
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CSC(=N4)C5CC5
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CSC(=N4)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CS4)C5CC5
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CS4)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=COC(=N3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC4=CC=C[N]4C=N3
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=CC=NC4=CC=N[N]34
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=N[N]4C(=C3)C
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=N[N]4C=C3
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC=NC5=CC=N[N]45
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC5=CC=N[N]45)C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC5=CC(=N[N]45)C)C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC5=C(C)C=N[N]45)C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC5=CC=N[N]45)C6CC6
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC5=CC(=N[N]45)C(F)(F)F)C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=CC(=NC5=C(C)C=N[N]45)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=C4N=CC=C[N]4N=C3
Ro5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=C[N]4C=CN=C4C=N3
Ro5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC=C([NH]3)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC4=C([NH]3)C(=CC=C4)C5CC5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC(=C4[NH]3)C(F)(F)F
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)NC(=O)C4=NC5=CC=CC(=C5[NH]4)C(F)(F)F
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC5=CC=CC(=C5[NH]4)C(F)(F)F
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)NC(=O)C3=NC4=CC=CC(=C4[NH]3)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=NC(=N3)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=NC(=N3)C(F)(F)F
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CC(CC1=NOC=C1C)C2=CC=CC(=C2)NC(=O)C3=NC(=NC(=C3)C)C4CC4
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CC1=CC(=NC(=N1)C2CC2)C(=O)NC3=CC(=CC=C3)C4(COC4)CC5=NOC=C5C
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CC1=CON=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)CN5CCC(O)C5)C6CC6
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CC1=CON=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=CC(=C4)CN5CCC6(CC6)C5)C7CC7
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CC1=CON=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=NC(=NC(=C4)CN5CCC6(CC6)C5)C7CC7
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CNC(=O)C1(CCN(C1)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C)C(F)(F)F
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CNC(=O)C1(C)CCN(C1)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)N3CCC(C3)(C(O)=O)C(F)(F)F
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COC(=O)C1(CCN(C1)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C)C(F)(F)F
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CC1CN(CC1CO)C(=O)NC2=CC(=CC=C2)C(C)CC3=NN=C[N]3C
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5C(CCN5C4=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=N[NH]C4=C3CCC4
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CC1CCC2=C([NH]N=C12)C(=O)NC3=CC(=CC=C3)C(C)CC4=NN=C[N]4C
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)NC(=O)C3=C4CCCCC4=N[NH]3
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)NC(=O)C4=C5OCCCC5=N[NH]4
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CC(C[N]1N=NC=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(C[N]1N=NC=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(C[N]1N=NC=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(C[N]1N=CC=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(C[N]1C=CC(=N1)C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(C[N]1N=NN=C1C)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(CN1NC=NC1=O)C2=CC=CC(=C2)NC(=O)C3=CC=CC(=N3)C(F)(F)F
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4=C(C3)C(=CC=C4)O
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4=C(C3)N=CC=N4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4=C(C3)[N](C)N=C4
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CCC4=NOC=C4C3
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC[N]4N=CC=C4C3
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)NC3=NN=CC(=C3)C
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)NC3CCCN(C3)C4=NN=CC=C4
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CC[N]1C=C(CN(C)C(=O)NC2=CC=CC(=C2)C(C)SC3=NN=C[N]3C)C=N1
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC(C4=C[N](C)N=C4)C(C)(C)C3
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4CCCC4C3
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4(CCC4O)C3
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CC4(CCCO4)C3
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Substructure Search
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CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CCOC4(CC4)C3
Ro5
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Details
Substructure Search
Nearest Neighbor Search
CC(SC1=NN=C[N]1C)C2=CC(=CC=C2)NC(=O)N3CCOC4(CCC4)C3
Ro5
👎
👍
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