General Information of the Compound
| Compound ID |
CP0689045
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| Compound Name |
Pyridine-3-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 |
C18H12FN5O3S
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| Molecular Weight |
397.391
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| Canonical SMILES |
O=C(c1cccc(NS(=O)(=O)c2cccnc2)c1F)c1c[nH]c2ncncc12
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| InChI |
InChI=1S/C18H12FN5O3S/c19-16-12(17(25)13-9-22-18-14(13)8-21-10-23-18)4-1-5-15(16)24-28(26,27)11-3-2-6-20-7-11/h1-10,24H,(H,21,22,23)
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| InChIKey |
KBCSWYYCXBAYQT-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