General Information of the Compound
| Compound ID |
CP0555649
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| Compound Name |
2,3-dichloro-N-(3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C15H15Cl2N5O3S
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| Molecular Weight |
416.29
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| Canonical SMILES |
COc1nn(C(C)C)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C15H15Cl2N5O3S/c1-8(2)22-14-11(15(20-22)25-3)13(18-7-19-14)21-26(23,24)10-6-4-5-9(16)12(10)17/h4-8H,1-3H3,(H,18,19,21)
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| InChIKey |
AMSLRDAAPWCMAH-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