General Information of the Compound
| Compound ID |
CP0884559
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| Compound Name |
N-(3-(1-(4-(1-cyclopropyl-1H-benzo[d]imidazole-2-carbonyl)benzyl)piperidin-4-yl)phenyl)acetamide
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| Structure |
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| Formula |
C31H32N4O2
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| Molecular Weight |
492.623
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| Canonical SMILES |
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4C4CC4)cc3)CC2)c1
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| InChI |
InChI=1S/C31H32N4O2/c1-21(36)32-26-6-4-5-25(19-26)23-15-17-34(18-16-23)20-22-9-11-24(12-10-22)30(37)31-33-28-7-2-3-8-29(28)35(31)27-13-14-27/h2-12,19,23,27H,13-18,20H2,1H3,(H,32,36)
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| InChIKey |
PKNOTYKZDFPGRT-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