General Information of the Compound
| Compound ID |
CP0534010
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| Compound Name |
2-[4-[(6-chloro-5-ethoxyindazol-2-yl)methyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H17ClN4O4
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| Molecular Weight |
412.833
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| Canonical SMILES |
CCOc1cc2cn(Cc3nn(CC(O)=O)c(=O)c4ccccc34)nc2cc1Cl
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| InChI |
InChI=1S/C20H17ClN4O4/c1-2-29-18-7-12-9-24(22-16(12)8-15(18)21)10-17-13-5-3-4-6-14(13)20(28)25(23-17)11-19(26)27/h3-9H,2,10-11H2,1H3,(H,26,27)
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| InChIKey |
KYOMWVNVTYMNQQ-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