General Information of the Compound
| Compound ID |
CP0383739
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| Compound Name |
2-[3-[(4-benzylsulfonylphenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H24N2O5S
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| Molecular Weight |
452.532
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| Canonical SMILES |
Cc1c(Cc2ccc(cc2)S(=O)(=O)Cc2ccccc2)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C24H24N2O5S/c1-16-20(23-21(11-12-25-24(23)29)26(16)14-22(27)28)13-17-7-9-19(10-8-17)32(30,31)15-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,25,29)(H,27,28)
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| InChIKey |
DQQNRVPMTPKLCS-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