General Information of the Compound
| Compound ID |
CP0684452
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| Compound Name |
Propane-1-sulfonic acid [2-fluoro-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-amide
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| Structure |
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| Formula |
C17H17FN4O4S
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| Molecular Weight |
392.412
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| Canonical SMILES |
CCCS(=O)(=O)Nc1cccc(C(=O)c2c[nH]c3ncnc(OC)c23)c1F
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| InChI |
InChI=1S/C17H17FN4O4S/c1-3-7-27(24,25)22-12-6-4-5-10(14(12)18)15(23)11-8-19-16-13(11)17(26-2)21-9-20-16/h4-6,8-9,22H,3,7H2,1-2H3,(H,19,20,21)
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| InChIKey |
UOAWSIVVNJAGDE-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