General Information of the Compound
| Compound ID |
CP0467954
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| Compound Name |
N-[2-(3,4-dichlorophenyl)-4-[3-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]-N-methylbenzamide
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| Structure |
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| Formula |
C30H32Cl2N4O2
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| Molecular Weight |
551.518
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| Canonical SMILES |
CN(CC(CCN1CCCC(C1)n1c2ccccc2[nH]c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H32Cl2N4O2/c1-34(29(37)21-8-3-2-4-9-21)19-23(22-13-14-25(31)26(32)18-22)15-17-35-16-7-10-24(20-35)36-28-12-6-5-11-27(28)33-30(36)38/h2-6,8-9,11-14,18,23-24H,7,10,15-17,19-20H2,1H3,(H,33,38)
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| InChIKey |
VDGIWFABCWUAFZ-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