General Information of the Compound
| Compound ID |
CP0232506
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| Compound Name |
5,6-dichloro-1-[1-[4-(2-cyanopropan-2-yl)phenyl]piperidin-4-yl]-N,N-dimethyl-2-(propan-2-ylamino)benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C28H34Cl2N6O
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| Molecular Weight |
541.527
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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#N
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| InChI |
InChI=1S/C28H34Cl2N6O/c1-17(2)32-27-33-25-22(15-21(29)24(30)23(25)26(37)34(5)6)36(27)20-11-13-35(14-12-20)19-9-7-18(8-10-19)28(3,4)16-31/h7-10,15,17,20H,11-14H2,1-6H3,(H,32,33)
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| InChIKey |
VQMVPKAEWRRWNJ-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