General Information of the Compound
| Compound ID |
CP0403773
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| Compound Name |
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]thiophene-3-carboxamide
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| Structure |
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| Formula |
C25H15F7N2O3S2
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| Molecular Weight |
588.526
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| Canonical SMILES |
Fc1ccccc1-c1ccncc1CN(C(=O)c1ccsc1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H15F7N2O3S2/c26-22-4-2-1-3-21(22)20-5-7-33-12-16(20)13-34(23(35)15-6-8-38-14-15)39(36,37)19-10-17(24(27,28)29)9-18(11-19)25(30,31)32/h1-12,14H,13H2
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| InChIKey |
KYEYYPTUJSBZIP-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