General Information of the Compound
| Compound ID |
CP0462029
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| Compound Name |
2,3-dichloro-N-[6-[2-(dimethylamino)ethylamino]-3-methoxy-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C17H21Cl2N7O3S
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| Molecular Weight |
474.374
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| Canonical SMILES |
COc1nn(C)c2nc(NCCN(C)C)nc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
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| InChI |
InChI=1S/C17H21Cl2N7O3S/c1-25(2)9-8-20-17-21-14(12-15(22-17)26(3)23-16(12)29-4)24-30(27,28)11-7-5-6-10(18)13(11)19/h5-7H,8-9H2,1-4H3,(H2,20,21,22,24)
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| InChIKey |
OLBAITLRFCBYBQ-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