General Information of the Compound
| Compound ID |
CP0090171
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)-4-(trifluoromethyl)phenyl]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 |
C24H21F3N2O5S
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| Molecular Weight |
506.502
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| Canonical SMILES |
Cc1c(Cc2ccc(cc2S(=O)(=O)c2ccccc2)C(F)(F)F)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C24H21F3N2O5S/c1-14-18(22-19(9-10-28-23(22)32)29(14)13-21(30)31)11-15-7-8-16(24(25,26)27)12-20(15)35(33,34)17-5-3-2-4-6-17/h2-8,12H,9-11,13H2,1H3,(H,28,32)(H,30,31)
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| InChIKey |
FJIQYKPENVNXSG-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