General Information of the Compound
| Compound ID |
CP0413092
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| Compound Name |
7-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-7-methyl-2-(pyrimidin-2-ylmethylsulfanyl)-5,6-dihydro-4H-benzimidazole
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| Structure |
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| Formula |
C26H24F2N4OS
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| Molecular Weight |
478.568
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| Canonical SMILES |
COc1cc(ccc1F)C1(C)CCCc2nc(SCc3ncccn3)n(c12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H24F2N4OS/c1-26(17-6-11-20(28)22(15-17)33-2)12-3-5-21-24(26)32(19-9-7-18(27)8-10-19)25(31-21)34-16-23-29-13-4-14-30-23/h4,6-11,13-15H,3,5,12,16H2,1-2H3
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| InChIKey |
QRDWMRGLTWHRJP-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