General Information of the Compound
| Compound ID |
CP0397379
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| Compound Name |
3-[(6-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C15H17BrN6O2S
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| Molecular Weight |
425.312
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(Br)cc23)c1
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| InChI |
InChI=1S/C15H17BrN6O2S/c1-17-25(23,24)9-4-5-12(22(2)3)11(6-9)20-14-10-7-13(16)21-15(10)19-8-18-14/h4-8,17H,1-3H3,(H2,18,19,20,21)
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| InChIKey |
QMRCGCBWNRHDTC-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