General Information of the Compound
| Compound ID |
CP0482170
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| Compound Name |
5,6-dichloro-1-[1-(4-cyclohexylphenyl)piperidin-4-yl]-N,N-dimethyl-2-(propan-2-ylamino)benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C30H39Cl2N5O
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| Molecular Weight |
556.582
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| Canonical SMILES |
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(cc1)C1CCCCC1
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| InChI |
InChI=1S/C30H39Cl2N5O/c1-19(2)33-30-34-28-25(18-24(31)27(32)26(28)29(38)35(3)4)37(30)23-14-16-36(17-15-23)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h10-13,18-20,23H,5-9,14-17H2,1-4H3,(H,33,34)
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| InChIKey |
QKLUZQVEUCSWEW-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