General Information of the Compound
| Compound ID |
CP0555283
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| Compound Name |
2-[4-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H18ClN3O6
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| Molecular Weight |
431.832
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| Canonical SMILES |
COc1cc(OC)c(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C20H18ClN3O6/c1-29-16-9-17(30-2)15(7-13(16)21)22-18(25)8-14-11-5-3-4-6-12(11)20(28)24(23-14)10-19(26)27/h3-7,9H,8,10H2,1-2H3,(H,22,25)(H,26,27)
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| InChIKey |
DUDPCONXMQGBNG-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: PT01837, Sphingosine 1-phosphate receptor 2