General Information of the Compound
| Compound ID |
CP0395769
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| Compound Name |
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H17F7N2O3S
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| Molecular Weight |
582.497
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| Canonical SMILES |
Fc1ccccc1-c1ccncc1CN(C(=O)c1ccccc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H17F7N2O3S/c28-24-9-5-4-8-23(24)22-10-11-35-15-18(22)16-36(25(37)17-6-2-1-3-7-17)40(38,39)21-13-19(26(29,30)31)12-20(14-21)27(32,33)34/h1-15H,16H2
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| InChIKey |
ZQMSLMXMLJVCIM-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1