General Information of the Compound
| Compound ID |
CP0300638
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| Compound Name |
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]indazol-1-yl]methyl]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C21H19ClN4O3S2
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| Molecular Weight |
474.995
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| Canonical SMILES |
CC(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3ccccc23)c1
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| InChI |
InChI=1S/C21H19ClN4O3S2/c1-14(27)23-12-15-5-4-6-16(11-15)13-26-18-8-3-2-7-17(18)21(24-26)25-31(28,29)20-10-9-19(22)30-20/h2-11H,12-13H2,1H3,(H,23,27)(H,24,25)
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| InChIKey |
KMPWTLMBZMLPFZ-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