General Information of the Compound
| Compound ID |
CP0507069
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| Compound Name |
4-cyano-N-(1-oxo-2H-isoquinolin-7-yl)benzenesulfonamide
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| Structure |
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| Formula |
C16H11N3O3S
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| Molecular Weight |
325.349
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| Canonical SMILES |
O=c1[nH]ccc2ccc(NS(=O)(=O)c3ccc(cc3)C#N)cc12
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| InChI |
InChI=1S/C16H11N3O3S/c17-10-11-1-5-14(6-2-11)23(21,22)19-13-4-3-12-7-8-18-16(20)15(12)9-13/h1-9,19H,(H,18,20)
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| InChIKey |
SGMOXFPDJMEPRG-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