General Information of the Compound
| Compound ID |
CP0563298
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| Compound Name |
2-[(2,6-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-methylimidazol-4-amine
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| Structure |
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| Formula |
C24H20F3N3OS
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| Molecular Weight |
455.505
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| Canonical SMILES |
COc1cccc(c1)N(C)c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H20F3N3OS/c1-29(18-5-3-6-19(13-18)31-2)23-14-28-24(30(23)17-11-9-16(25)10-12-17)32-15-20-21(26)7-4-8-22(20)27/h3-14H,15H2,1-2H3
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| InChIKey |
FOQHSUBQNPOLDN-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