General Information of the Compound
| Compound ID |
CP0556344
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| Compound Name |
N-[4-[3-amino-4-(2-methylpropoxy)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2,5-dichlorobenzenesulfonamide
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| Structure |
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| Formula |
C21H20Cl2N6O3S
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| Molecular Weight |
507.403
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| Canonical SMILES |
CC(C)COc1nc(nc2[nH]nc(N)c12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
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| InChI |
InChI=1S/C21H20Cl2N6O3S/c1-11(2)10-32-21-17-18(24)27-28-20(17)25-19(26-21)12-3-6-14(7-4-12)29-33(30,31)16-9-13(22)5-8-15(16)23/h3-9,11,29H,10H2,1-2H3,(H3,24,25,26,27,28)
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| InChIKey |
PYOKJJPUDBVGDX-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