General Information of the Compound
| Compound ID |
CP0478578
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| Compound Name |
7-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-5,6-dihydro-4H-benzimidazole
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| Structure |
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| Formula |
C27H27FN4O2S
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| Molecular Weight |
490.604
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| Canonical SMILES |
COc1ccc(cc1OC)C1(C)CCCc2nc(SCc3ncccn3)n(c12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H27FN4O2S/c1-27(18-7-12-22(33-2)23(16-18)34-3)13-4-6-21-25(27)32(20-10-8-19(28)9-11-20)26(31-21)35-17-24-29-14-5-15-30-24/h5,7-12,14-16H,4,6,13,17H2,1-3H3
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| InChIKey |
OGNULPYWJCAAHE-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1