General Information of the Compound
| Compound ID |
CP0557683
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| Compound Name |
N-[4-(3-amino-4-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-2-cyano-5-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C22H19N7O3S
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| Molecular Weight |
461.507
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| Canonical SMILES |
COc1ccc(C#N)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc(C2CC2)c2c(N)n[nH]c2n1
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| InChI |
InChI=1S/C22H19N7O3S/c1-32-16-9-6-14(11-23)17(10-16)33(30,31)29-15-7-4-13(5-8-15)21-25-19(12-2-3-12)18-20(24)27-28-22(18)26-21/h4-10,12,29H,2-3H2,1H3,(H3,24,25,26,27,28)
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| InChIKey |
SVDUDQKKYRGDCR-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