General Information of the Compound
| Compound ID |
CP0503089
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| Compound Name |
3-fluoro-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]benzonitrile
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| Structure |
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| Formula |
C20H13FN6S
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| Molecular Weight |
388.431
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| Canonical SMILES |
Fc1cc(ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1)C#N
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| InChI |
InChI=1S/C20H13FN6S/c21-15-11-13(12-22)1-2-18(15)26-8-4-14-17(3-6-23-19(14)26)27-9-5-16(25-27)20-24-7-10-28-20/h1-3,5-7,9-11H,4,8H2
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| InChIKey |
BYILQWWIUWEDMP-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