General Information of the Compound
| Compound ID |
CP0534011
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| Compound Name |
2-[1-[[7-chloro-6-(cyclopropylmethoxy)imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxocinnolin-3-yl]butanoic acid
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| Structure |
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| Formula |
C24H23ClN4O4
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| Molecular Weight |
466.925
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| Canonical SMILES |
CCC(C(O)=O)c1nn(Cc2cn3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O
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| InChI |
InChI=1S/C24H23ClN4O4/c1-2-16(24(31)32)22-23(30)17-5-3-4-6-19(17)29(27-22)11-15-10-28-12-20(33-13-14-7-8-14)18(25)9-21(28)26-15/h3-6,9-10,12,14,16H,2,7-8,11,13H2,1H3,(H,31,32)
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| InChIKey |
HZJBXOIDQGHQCF-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