General Information of the Compound
| Compound ID |
CP0550000
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| Compound Name |
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C19H16ClN3O5
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| Molecular Weight |
401.806
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| Canonical SMILES |
COc1ccc(Cl)cc1NC(=O)Cc1nn(CC(O)=O)c(=O)c2ccccc12
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| InChI |
InChI=1S/C19H16ClN3O5/c1-28-16-7-6-11(20)8-15(16)21-17(24)9-14-12-4-2-3-5-13(12)19(27)23(22-14)10-18(25)26/h2-8H,9-10H2,1H3,(H,21,24)(H,25,26)
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| InChIKey |
RJOJJCHPRCZHCK-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