General Information of the Compound
| Compound ID |
CP0539463
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| Compound Name |
4-(dimethylamino)-N-methyl-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
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| Structure |
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| Formula |
C16H20N6O2S
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| Molecular Weight |
360.443
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1
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| InChI |
InChI=1S/C16H20N6O2S/c1-10-8-18-15-14(10)16(20-9-19-15)21-12-7-11(25(23,24)17-2)5-6-13(12)22(3)4/h5-9,17H,1-4H3,(H2,18,19,20,21)
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| InChIKey |
XCLJGHDOBNHEIT-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