General Information of the Compound
| Compound ID |
CP0385338
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| Compound Name |
3-[1-methyl-4-oxo-3-[[4-phenyl-3-(trifluoromethyl)phenyl]carbamoyl]-1,6-naphthyridin-7-yl]propanoic acid
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| Structure |
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| Formula |
C26H20F3N3O4
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| Molecular Weight |
495.457
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| Canonical SMILES |
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2cnc(CCC(O)=O)cc12
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| InChI |
InChI=1S/C26H20F3N3O4/c1-32-14-20(24(35)19-13-30-16(12-22(19)32)8-10-23(33)34)25(36)31-17-7-9-18(15-5-3-2-4-6-15)21(11-17)26(27,28)29/h2-7,9,11-14H,8,10H2,1H3,(H,31,36)(H,33,34)
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| InChIKey |
BVSQIYMEJCGANT-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