General Information of the Compound
| Compound ID |
CP0558672
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| Compound Name |
2,3-dichloro-N-[3-methoxy-1-methyl-6-(oxetan-3-ylamino)pyrazolo[3,4-d]pyrimidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C16H16Cl2N6O4S
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| Molecular Weight |
459.315
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| Canonical SMILES |
COc1nn(C)c2nc(NC3COC3)nc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C16H16Cl2N6O4S/c1-24-14-11(15(22-24)27-2)13(20-16(21-14)19-8-6-28-7-8)23-29(25,26)10-5-3-4-9(17)12(10)18/h3-5,8H,6-7H2,1-2H3,(H2,19,20,21,23)
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| InChIKey |
FQGCXPRXYAFAHH-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