General Information of the Compound
| Compound ID |
CP0436469
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| Compound Name |
3-[1-methyl-4-oxo-3-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]quinolin-7-yl]propanoic acid
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| Structure |
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| Formula |
C27H21F3N2O4
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| Molecular Weight |
494.469
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccc(CCC(O)=O)cc12
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| InChI |
InChI=1S/C27H21F3N2O4/c1-32-15-21(25(35)20-10-7-16(13-23(20)32)8-12-24(33)34)26(36)31-18-9-11-19(17-5-3-2-4-6-17)22(14-18)27(28,29)30/h2-7,9-11,13-15H,8,12H2,1H3,(H,31,36)(H,33,34)
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| InChIKey |
RKASVXKHTNPMRO-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