General Information of the Compound
| Compound ID |
CP0549099
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| Compound Name |
N-methyl-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-morpholin-4-ylbenzenesulfonamide
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| Structure |
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| Formula |
C18H22N6O3S
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| Molecular Weight |
402.48
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| Canonical SMILES |
CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]cc(C)c23)c1
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| InChI |
InChI=1S/C18H22N6O3S/c1-12-10-20-17-16(12)18(22-11-21-17)23-14-9-13(28(25,26)19-2)3-4-15(14)24-5-7-27-8-6-24/h3-4,9-11,19H,5-8H2,1-2H3,(H2,20,21,22,23)
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| InChIKey |
KDNOQIGPPRAKPY-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