General Information of the Compound
| Compound ID |
CP0516892
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| Compound Name |
N-(3,4-dichlorophenyl)-2-[(2,6-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)-N-methylimidazol-4-amine
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| Structure |
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| Formula |
C23H16Cl2F3N3S
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| Molecular Weight |
494.369
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| Canonical SMILES |
CN(c1cnc(SCc2c(F)cccc2F)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H16Cl2F3N3S/c1-30(16-9-10-18(24)19(25)11-16)22-12-29-23(31(22)15-7-5-14(26)6-8-15)32-13-17-20(27)3-2-4-21(17)28/h2-12H,13H2,1H3
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| InChIKey |
OTECHJIJAUHLNR-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