General Information of the Compound
| Compound ID |
CP0139498
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| Compound Name |
3-[(4-acetylcyclohexyl)methyl]-2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]benzimidazole-5-carboxylic acid
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| Structure |
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| Formula |
C36H35Cl2N3O5
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| Molecular Weight |
660.598
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CCC(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C36H35Cl2N3O5/c1-20(2)34-27(33(40-46-34)32-28(37)5-4-6-29(32)38)19-45-26-14-11-24(12-15-26)35-39-30-16-13-25(36(43)44)17-31(30)41(35)18-22-7-9-23(10-8-22)21(3)42/h4-6,11-17,20,22-23H,7-10,18-19H2,1-3H3,(H,43,44)
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| InChIKey |
KKYWWJQQQXHEMS-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
Protein ID: PT01286, Bile acid receptor
Protein ID: PT02378, Vitamin D3 receptor