General Information of the Compound
| Compound ID |
CP0474973
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| Compound Name |
N-(6-amino-3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-2,3-dichlorobenzenesulfonamide
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| Structure |
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| Formula |
C13H12Cl2N6O3S
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| Molecular Weight |
403.251
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| Canonical SMILES |
COc1nn(C)c2nc(N)nc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C13H12Cl2N6O3S/c1-21-11-8(12(19-21)24-2)10(17-13(16)18-11)20-25(22,23)7-5-3-4-6(14)9(7)15/h3-5H,1-2H3,(H3,16,17,18,20)
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| InChIKey |
XTBTVGBOOSJBMO-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