General Information of the Compound
| Compound ID |
CP0554725
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| Compound Name |
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
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| Structure |
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| Formula |
C30H32Cl2N4O
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| Molecular Weight |
535.519
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| Canonical SMILES |
CN(CC(CCN1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H32Cl2N4O/c1-35(30(37)22-7-3-2-4-8-22)20-24(23-11-12-25(31)26(32)19-23)15-18-36-16-13-21(14-17-36)29-33-27-9-5-6-10-28(27)34-29/h2-12,19,21,24H,13-18,20H2,1H3,(H,33,34)
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| InChIKey |
KVWYIQSSLORAOG-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