General Information of the Compound
| Compound ID |
CP0463357
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| Compound Name |
2-[(2,6-difluorophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-N,5-dimethylimidazol-4-amine
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| Structure |
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| Formula |
C26H24F3N3O2S
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| Molecular Weight |
499.558
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| Canonical SMILES |
COc1ccc(cc1OC)N(C)c1c(C)nc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H24F3N3O2S/c1-16-25(31(2)19-12-13-23(33-3)24(14-19)34-4)32(18-10-8-17(27)9-11-18)26(30-16)35-15-20-21(28)6-5-7-22(20)29/h5-14H,15H2,1-4H3
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| InChIKey |
PODBKRLJPSUMHY-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