General Information of the Compound
| Compound ID |
CP0418276
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| Compound Name |
2-[3-[[2-(benzenesulfonyl)-5-cyanophenyl]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 |
C24H21N3O5S
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| Molecular Weight |
463.515
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| Canonical SMILES |
Cc1c(Cc2cc(ccc2S(=O)(=O)c2ccccc2)C#N)c2c(CCNC2=O)n1CC(O)=O
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| InChI |
InChI=1S/C24H21N3O5S/c1-15-19(23-20(9-10-26-24(23)30)27(15)14-22(28)29)12-17-11-16(13-25)7-8-21(17)33(31,32)18-5-3-2-4-6-18/h2-8,11H,9-10,12,14H2,1H3,(H,26,30)(H,28,29)
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| InChIKey |
LSQBPNGBTTUPBX-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