General Information of the Compound
| Compound ID |
CP0475158
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| Compound Name |
2-benzylsulfanyl-N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-N-methylimidazol-4-amine
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| Structure |
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| Formula |
C25H24FN3O2S
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| Molecular Weight |
449.551
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| Canonical SMILES |
COc1ccc(cc1OC)N(C)c1cnc(SCc2ccccc2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24FN3O2S/c1-28(21-13-14-22(30-2)23(15-21)31-3)24-16-27-25(32-17-18-7-5-4-6-8-18)29(24)20-11-9-19(26)10-12-20/h4-16H,17H2,1-3H3
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| InChIKey |
FSKBDQOKJRCKGZ-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