General Information of the Compound
| Compound ID |
CP0390773
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| Compound Name |
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenylpyridin-3-yl)methyl]furan-2-carboxamide
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| Structure |
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| Formula |
C27H20F6N2O2
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| Molecular Weight |
518.457
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| Canonical SMILES |
CC(N(Cc1cnccc1-c1ccccc1)C(=O)c1ccco1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H20F6N2O2/c1-17(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)35(25(36)24-8-5-11-37-24)16-20-15-34-10-9-23(20)18-6-3-2-4-7-18/h2-15,17H,16H2,1H3
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| InChIKey |
DFLNKQIQSDHWAQ-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