General Information of the Compound
| Compound ID |
CP0536109
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| Compound Name |
1-methyl-3-(5-methylsulfonyl-2-phenoxyphenyl)-6H-pyrrolo[2,3-c]pyridin-7-one
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| Structure |
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| Formula |
C21H18N2O4S
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| Molecular Weight |
394.452
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| Canonical SMILES |
Cn1cc(-c2cc(ccc2Oc2ccccc2)S(C)(=O)=O)c2cc[nH]c(=O)c12
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| InChI |
InChI=1S/C21H18N2O4S/c1-23-13-18(16-10-11-22-21(24)20(16)23)17-12-15(28(2,25)26)8-9-19(17)27-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,24)
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| InChIKey |
YCCIGZDTXLSNIN-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