General Information of the Compound
| Compound ID |
CP0474971
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| Compound Name |
2,3-dichloro-N-[3-(2-methoxyethoxy)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C15H15Cl2N5O4S
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| Molecular Weight |
432.289
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| Canonical SMILES |
COCCOc1nn(C)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C15H15Cl2N5O4S/c1-22-14-11(15(20-22)26-7-6-25-2)13(18-8-19-14)21-27(23,24)10-5-3-4-9(16)12(10)17/h3-5,8H,6-7H2,1-2H3,(H,18,19,21)
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| InChIKey |
AFZZAPRHJGPRBA-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