General Information of the Compound
| Compound ID |
CP0575747
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| Compound Name |
2-[1-[[6-(cyclopropylmethoxy)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxocinnolin-3-yl]propanoic acid
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| Structure |
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| Formula |
C24H21F3N4O4
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| Molecular Weight |
486.45
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| Canonical SMILES |
CC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(cc3n2)C(F)(F)F)c2ccccc2c1=O
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| InChI |
InChI=1S/C24H21F3N4O4/c1-13(23(33)34)21-22(32)16-4-2-3-5-18(16)31(29-21)10-15-9-30-11-19(35-12-14-6-7-14)17(24(25,26)27)8-20(30)28-15/h2-5,8-9,11,13-14H,6-7,10,12H2,1H3,(H,33,34)
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| InChIKey |
PJAMLCJMNSVQOI-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: PT01837, Sphingosine 1-phosphate receptor 2