General Information of the Compound
| Compound ID |
CP0484971
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| Compound Name |
N-(3-fluorophenyl)-3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C22H16FN7S
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| Molecular Weight |
429.484
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1cccc(F)c1
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| InChI |
InChI=1S/C22H16FN7S/c1-14-4-2-7-19(26-14)21-18(15-8-9-20-24-13-25-29(20)11-15)12-30(28-21)22(31)27-17-6-3-5-16(23)10-17/h2-13H,1H3,(H,27,31)
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| InChIKey |
ISXFZZRQEKMYIS-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