General Information of the Compound
| Compound ID |
CP0465617
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| Compound Name |
2-[4-[4-[5,6-dichloro-4-(dimethylcarbamoyl)-2-(propan-2-ylamino)benzimidazol-1-yl]piperidin-1-yl]phenyl]-2-methylpropanoic acid
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| Structure |
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| Formula |
C28H35Cl2N5O3
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| Molecular Weight |
560.526
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| Canonical SMILES |
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(cc1)C(C)(C)C(O)=O
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| InChI |
InChI=1S/C28H35Cl2N5O3/c1-16(2)31-27-32-24-21(15-20(29)23(30)22(24)25(36)33(5)6)35(27)19-11-13-34(14-12-19)18-9-7-17(8-10-18)28(3,4)26(37)38/h7-10,15-16,19H,11-14H2,1-6H3,(H,31,32)(H,37,38)
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| InChIKey |
IOFHOVNDVPKGMU-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