General Information of the Compound
| Compound ID |
CP0410263
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| Compound Name |
7-(3-hydroxypropyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C27H23F3N2O3
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| Molecular Weight |
480.486
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCCO)cc12
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| InChI |
InChI=1S/C27H23F3N2O3/c1-32-16-22(25(34)21-11-9-17(6-5-13-33)14-24(21)32)26(35)31-19-10-12-20(18-7-3-2-4-8-18)23(15-19)27(28,29)30/h2-4,7-12,14-16,33H,5-6,13H2,1H3,(H,31,35)
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| InChIKey |
GPQBJOGXUGDSEF-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3