General Information of the Compound
| Compound ID |
CP0413405
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| Compound Name |
2,3-dichloro-N-[1-[2-(dimethylamino)ethyl]-3-methoxypyrazolo[3,4-d]pyrimidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C16H18Cl2N6O3S
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| Molecular Weight |
445.332
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| Canonical SMILES |
COc1nn(CCN(C)C)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C16H18Cl2N6O3S/c1-23(2)7-8-24-15-12(16(21-24)27-3)14(19-9-20-15)22-28(25,26)11-6-4-5-10(17)13(11)18/h4-6,9H,7-8H2,1-3H3,(H,19,20,22)
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| InChIKey |
LXLPWCXTLWTVLC-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