General Information of the Compound
| Compound ID |
CP0431391
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| Compound Name |
N-methyl-4-morpholin-4-yl-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
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| Structure |
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| Formula |
C17H20N6O3S
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| Molecular Weight |
388.453
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1
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| InChI |
InChI=1S/C17H20N6O3S/c1-18-27(24,25)12-2-3-15(23-6-8-26-9-7-23)14(10-12)22-17-13-4-5-19-16(13)20-11-21-17/h2-5,10-11,18H,6-9H2,1H3,(H2,19,20,21,22)
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| InChIKey |
WDWFOYNZUZNVNJ-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