General Information of the Compound
| Compound ID |
CP0495249
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| Compound Name |
2-[4-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C20H19N3O6
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| Molecular Weight |
397.387
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| Canonical SMILES |
COc1ccc(NC(=O)Cc2nn(CC(O)=O)c(=O)c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C20H19N3O6/c1-28-12-7-8-15(17(9-12)29-2)21-18(24)10-16-13-5-3-4-6-14(13)20(27)23(22-16)11-19(25)26/h3-9H,10-11H2,1-2H3,(H,21,24)(H,25,26)
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| InChIKey |
KTDBAZQYKVPWAE-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