General Information of the Compound
| Compound ID |
CP0362282
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| Compound Name |
N-[4-[4-(3-aminopropoxy)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-2,5-dichlorobenzenesulfonamide
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| Structure |
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| Formula |
C20H18Cl2N6O3S
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| Molecular Weight |
493.376
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| Canonical SMILES |
NCCCOc1nc(nc2[nH]ncc12)-c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
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| InChI |
InChI=1S/C20H18Cl2N6O3S/c21-13-4-7-16(22)17(10-13)32(29,30)28-14-5-2-12(3-6-14)18-25-19-15(11-24-27-19)20(26-18)31-9-1-8-23/h2-7,10-11,28H,1,8-9,23H2,(H,24,25,26,27)
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| InChIKey |
YRZXTWXYARRXKW-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