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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=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(N=C(CN6CCC(F)C6)C=C5C4=O)C7CC7
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C[N]1C=NN=C1CC2(COC2)C3=CC=CC(=C3)N4CC5=C(N=C(C=C5C4=O)N6CC(C6)C(F)F)C7CC7
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1CC2(CC2)C3=CC=CC(=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1CC(C)(C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC1C(C1C2=NN=C[N]2C)C3=CC=CC(=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1C2CCC2C3=CC=CC(=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1C2CCC2C3=CC=CC(=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)C5CC5)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=CC(=C2)C3CCC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1CC(C)(C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5CC5)C(F)(F)F
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C[N]1C=NN=C1CC(C(F)F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1CC(C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F)C(F)(F)F
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C[N]1C=NN=C1CC(C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F)C(F)(F)F
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C[N]1C=NN=C1CC(C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F)C(F)(F)F
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C[N]1C=NN=C1CC2(CC(F)(F)C2)C3=CC(=CC=C3)N4CC5=C(C=CC=C5C(F)(F)F)C4=O
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C[N]1C=NN=C1CC(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1CC(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1CC(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)F
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CC(CC1=NN=C[N]1C)C2=CC(=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)F
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CC(CC1=NN=C[N]1C)C2=CC(=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O)F
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CC(CC1=NN=C[N]1C)C2=C(F)C=CC(=C2)N3CC4=C(C=CC=C4C(F)(F)F)C3=O
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C[N]1C=NN=C1CC2(CC(CO)C2)C3=CC=CC(=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(CO)C=C4C3=O)C(F)(F)F
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CC(O)C1=CC(=C2CN(C3=CC(=CC=C3)C(C)CC4=NN=C[N]4C)C(=O)C2=C1)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)C(C)(C)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)C(O)=O)C(F)(F)F
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CC(CC1=N[N](C)C=N1)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NC=N[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(C(O)C1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=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)C5CCCNC5)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)C5CCCNC5)C(F)(F)F
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CC(CC1=NN=C[N]1C2CC2)C3=CC=CC(=C3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)N4CC5=C(C=C(C=C5C4=O)C#N)C(F)(F)F
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CC(C(F)C1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(C(F)C1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(C(F)C1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(C1=CC=CC(=C1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(F)(F)C4=NN=C[N]4C
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CC(C1=CC=CC(=C1)N2CC3=C(C=CC=C3C2=O)C(F)(F)F)C(F)(F)C4=NN=C[N]4C
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5CC5)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5CC5)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5CC5)C(F)(F)F
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C[N]1C=NN=C1C(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C5CC5)C(F)(F)F
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CC(O)C1=CC(=C2CN(C3=CC(=CC=C3)C(C)(F)C(F)(F)C4=NN=C[N]4C)C(=O)C2=C1)C(F)(F)F
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COC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CCOC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1CC(C)(O)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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C[N]1C=NN=C1C(F)(F)C(C)(O)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC(=CC(=C2)NC3COC3)N4CC5=C(C=CC=C5C4=O)C(F)(F)F
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CC(CC1=N[NH]C=N1)C2=CC=CC(=C2)N3CC4=C(C=CC=C4C3=O)C(F)(F)F
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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)C5=CC(=CN=C5)F)C(F)(F)F
MCF
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C5CC5)C(=O)N6CC(O)C6)C3=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C5CC5)C(=O)N6CCC(O)C6)C3=O
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(NC5CCNC5)C=C4C3=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(C)C5CCNC5)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(O)C5)C=C4C3=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)C(C)N5CC(O)C5)C(F)(F)F
Ro5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)C(C)N5CC(O)C5)C(F)(F)F
Ro5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(C)(O)C5)C=C4C3=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)C(=O)N5CC(O)C5)C(F)(F)F
Ro5
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(F)C5)C=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(F)(F)C5)C=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(O)C5)C=C4C3=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)C(C)N5CCC(O)C5)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(C)(O)C5)C=C4C3=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)C(=O)N5CCC(O)C5)C(F)(F)F
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CC1CC(O)CN1C(=O)C2=CC(=C3CN(C4=CC(=CC=C4)C(C)CC5=NN=C[N]5C)C(=O)C3=C2)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)C5)C=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)C5)C=C4C3=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)C(C)N5CCC(F)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)C(C)N5CCC(F)C5)C(F)(F)F
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C[N]1C=NN=C1C2CC2C3=CC=CC(=C3)N4CC5=C(C=C(CN6CCC(F)C6)C=C5C4=O)C(F)(F)F
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CC(N1CCC(F)C1)C2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C5CC5C6=NN=C[N]6C)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)(F)C5)C=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(O)C(F)C5)C=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(O)C(F)C5)C=C4C3=O)C(F)(F)F
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CC(CC1=NN=C[N]1C)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(O)C(F)(F)C5)C=C4C3=O)C(F)(F)F
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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)N5CCNCC5)C(F)(F)F
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CN1CCN(CC1)C2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C(C)(F)C(F)(F)C5=NN=C[N]5C)C(F)(F)F
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CC1CN(C)CCN1C2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C(C)(F)C(F)(F)C5=NN=C[N]5C)C(F)(F)F
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CC1CN(C)CCN1C2=CC(=C3CN(C(=O)C3=C2)C4=CC(=CC=C4)C(C)(F)C(F)(F)C5=NN=C[N]5C)C(F)(F)F
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Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)N(C)C5CNCC5F)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)N(C)C5CNCC5F)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)N(C)C5CNCC5F)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(C=C4C3=O)N(C)C5CNCC5F)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(F)C5)C=C4C3=O)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)C5)C=C4C3=O)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)C5)C=C4C3=O)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CCC(F)C5)C=C4C3=O)C(F)(F)F
MCF
👎
👍
Details
Substructure Search
Nearest Neighbor Search
C[N]1C=NN=C1C(F)(F)C(C)(F)C2=CC=CC(=C2)N3CC4=C(C=C(CN5CC(F)C(F)C5)C=C4C3=O)C(F)(F)F
MCF
👎
👍
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