General Information of the Compound
| Compound ID |
CP0515608
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| Compound Name |
2-[(2,6-difluorophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazol-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(CN(C)c2cnc(SCc3c(F)cccc3F)n2-c2ccc(F)cc2)cc1OC
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| InChI |
InChI=1S/C26H24F3N3O2S/c1-31(15-17-7-12-23(33-2)24(13-17)34-3)25-14-30-26(32(25)19-10-8-18(27)9-11-19)35-16-20-21(28)5-4-6-22(20)29/h4-14H,15-16H2,1-3H3
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| InChIKey |
QQJLRZZJOUTJSL-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