General Information of the Compound
| Compound ID |
CP0385005
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-4-oxophthalazin-1-yl]acetic acid
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| Structure |
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| Formula |
C23H18N2O5S
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| Molecular Weight |
434.473
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| Canonical SMILES |
OC(=O)Cc1nn(Cc2ccccc2S(=O)(=O)c2ccccc2)c(=O)c2ccccc12
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| InChI |
InChI=1S/C23H18N2O5S/c26-22(27)14-20-18-11-5-6-12-19(18)23(28)25(24-20)15-16-8-4-7-13-21(16)31(29,30)17-9-2-1-3-10-17/h1-13H,14-15H2,(H,26,27)
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| InChIKey |
JECRVDOUHGNNHJ-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