General Information of the Compound
| Compound ID |
CP0880712
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| Compound Name |
N-(3-(1-(2-cyano-4-(1-(4-fluorophenyl)-1H-benzo[d]imidazole-2-carbonyl)benzyl)piperidin-4-yl)phenyl)acetamide
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| Structure |
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| Formula |
C35H30FN5O2
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| Molecular Weight |
571.656
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| Canonical SMILES |
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3C#N)CC2)c1
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| InChI |
InChI=1S/C35H30FN5O2/c1-23(42)38-30-6-4-5-25(20-30)24-15-17-40(18-16-24)22-27-10-9-26(19-28(27)21-37)34(43)35-39-32-7-2-3-8-33(32)41(35)31-13-11-29(36)12-14-31/h2-14,19-20,24H,15-18,22H2,1H3,(H,38,42)
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| InChIKey |
GDODEEQNDSBFEM-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound