General Information of the Compound
| Compound ID |
CP0539987
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| Compound Name |
2-[(2,6-difluorophenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylimidazol-4-amine
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| Structure |
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| Formula |
C25H23F2N3O2S
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| Molecular Weight |
467.541
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| Canonical SMILES |
COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccccc1
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| InChI |
InChI=1S/C25H23F2N3O2S/c1-29(18-12-13-22(31-2)23(14-18)32-3)24-15-28-25(30(24)17-8-5-4-6-9-17)33-16-19-20(26)10-7-11-21(19)27/h4-15H,16H2,1-3H3
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| InChIKey |
YCQSXPGNRWLUMG-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