General Information of the Compound
| Compound ID |
CP0548624
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| Compound Name |
2,3-dichloro-N-(3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C12H9Cl2N5O3S
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| Molecular Weight |
374.209
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| Canonical SMILES |
COc1n[nH]c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C12H9Cl2N5O3S/c1-22-12-8-10(17-18-12)15-5-16-11(8)19-23(20,21)7-4-2-3-6(13)9(7)14/h2-5H,1H3,(H2,15,16,17,18,19)
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| InChIKey |
VXOSMMWWEUDVMB-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