General Information of the Compound
| Compound ID |
CP0465616
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| Compound Name |
5,6-dichloro-1-[1-[4-(4-cyanooxan-4-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 |
C30H36Cl2N6O2
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| Molecular Weight |
583.564
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| Canonical SMILES |
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(cc1)C1(CCOCC1)C#N
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| InChI |
InChI=1S/C30H36Cl2N6O2/c1-19(2)34-29-35-27-24(17-23(31)26(32)25(27)28(39)36(3)4)38(29)22-9-13-37(14-10-22)21-7-5-20(6-8-21)30(18-33)11-15-40-16-12-30/h5-8,17,19,22H,9-16H2,1-4H3,(H,34,35)
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| InChIKey |
ZRTVTZFNBXQOFO-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