General Information of the Compound
| Compound ID |
CP0436527
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| Compound Name |
7-(2-hydroxyethyl)-1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C26H21F3N2O3
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| Molecular Weight |
466.459
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCO)cc12
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| InChI |
InChI=1S/C26H21F3N2O3/c1-31-15-21(24(33)20-9-7-16(11-12-32)13-23(20)31)25(34)30-18-8-10-19(17-5-3-2-4-6-17)22(14-18)26(27,28)29/h2-10,13-15,32H,11-12H2,1H3,(H,30,34)
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| InChIKey |
FWSSDNMJFXWXQP-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