General Information of the Compound
| Compound ID |
CP0558451
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| Compound Name |
5,6-dichloro-N,N-dimethyl-2-(propan-2-ylamino)-1-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C27H35Cl2N5O2
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| Molecular Weight |
532.516
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| Canonical SMILES |
CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(CC1)c1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C27H35Cl2N5O2/c1-16(2)30-27-31-25-22(15-21(28)24(29)23(25)26(35)32(5)6)34(27)19-11-13-33(14-12-19)18-7-9-20(10-8-18)36-17(3)4/h7-10,15-17,19H,11-14H2,1-6H3,(H,30,31)
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| InChIKey |
NALJATVDFZCVNT-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