General Information of the Compound
| Compound ID |
CP0119067
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)phenyl]methyl]-2,5-dimethyl-4-oxopyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H22N2O5S
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| Molecular Weight |
450.516
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(ccn(C)c2=O)n1CC(O)=O
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| InChI |
InChI=1S/C24H22N2O5S/c1-16-19(23-20(26(16)15-22(27)28)12-13-25(2)24(23)29)14-17-8-6-7-11-21(17)32(30,31)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3,(H,27,28)
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| InChIKey |
DQJGIQPAKWLZLE-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