General Information of the Compound
| Compound ID |
CP0463709
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| Compound Name |
methyl 2-[4-[4-[5,6-dichloro-4-(dimethylcarbamoyl)-2-(propan-2-ylamino)benzimidazol-1-yl]piperidin-1-yl]phenyl]-2-methylpropanoate
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| Structure |
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| Formula |
C29H37Cl2N5O3
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| Molecular Weight |
574.553
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| Canonical SMILES |
COC(=O)C(C)(C)c1ccc(cc1)N1CCC(CC1)n1c(NC(C)C)nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc12
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| InChI |
InChI=1S/C29H37Cl2N5O3/c1-17(2)32-28-33-25-22(16-21(30)24(31)23(25)26(37)34(5)6)36(28)20-12-14-35(15-13-20)19-10-8-18(9-11-19)29(3,4)27(38)39-7/h8-11,16-17,20H,12-15H2,1-7H3,(H,32,33)
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| InChIKey |
REMGFZJNRXPOSB-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