General Information of the Compound
| Compound ID |
CP0674366
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| Compound Name |
Dimethylamine-1-sulfonic acid [3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluoro-phenyl]-amide
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| Structure |
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| Formula |
C15H13F2N5O3S
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| Molecular Weight |
381.364
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| Canonical SMILES |
CN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncncc23)c1F
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| InChI |
InChI=1S/C15H13F2N5O3S/c1-22(2)26(24,25)21-11-4-3-10(16)12(13(11)17)14(23)8-6-19-15-9(8)5-18-7-20-15/h3-7,21H,1-2H3,(H,18,19,20)
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| InChIKey |
NNQNWHSVIZPCDA-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