General Information of the Compound
| Compound ID |
CP0304249
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| Compound Name |
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-hydroxyindazol-1-yl]methyl]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C21H19ClN4O4S2
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| Molecular Weight |
490.994
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| Canonical SMILES |
CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(O)cccc23)c1
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| InChI |
InChI=1S/C21H19ClN4O4S2/c1-13(27)23-11-14-4-2-5-15(10-14)12-26-16-6-3-7-17(28)20(16)21(24-26)25-32(29,30)19-9-8-18(22)31-19/h2-10,28H,11-12H2,1H3,(H,23,27)(H,24,25)
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| InChIKey |
CODZFMVGMOWYBR-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