General Information of the Compound
| Compound ID |
CP0443634
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| Compound Name |
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-[[4-(2-fluorophenyl)pyridin-3-yl]methyl]furan-2-carboxamide
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| Structure |
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| Formula |
C25H15F7N2O4S
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| Molecular Weight |
572.458
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| Canonical SMILES |
Fc1ccccc1-c1ccncc1CN(C(=O)c1ccco1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H15F7N2O4S/c26-21-5-2-1-4-20(21)19-7-8-33-13-15(19)14-34(23(35)22-6-3-9-38-22)39(36,37)18-11-16(24(27,28)29)10-17(12-18)25(30,31)32/h1-13H,14H2
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| InChIKey |
VLUOMZIZEPXQGU-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