General Information of the Compound
| Compound ID |
CP0678550
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| Compound Name |
propane-1-sulfonic acid [2-fluoro-3-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C16H15FN4O3S
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| Molecular Weight |
362.386
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncncc23)c1F
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| InChI |
InChI=1S/C16H15FN4O3S/c1-2-6-25(23,24)21-13-5-3-4-10(14(13)17)15(22)11-8-19-16-12(11)7-18-9-20-16/h3-5,7-9,21H,2,6H2,1H3,(H,18,19,20)
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| InChIKey |
KUMWEOKYYMWAOB-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