General Information of the Compound
| Compound ID |
CP0512838
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| Compound Name |
3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethyl)phenyl]pyrazole-1-carbothioamide
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| Structure |
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| Formula |
C23H16F3N7S
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| Molecular Weight |
479.491
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(cc1-c1ccc2ncnn2c1)C(=S)Nc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H16F3N7S/c1-14-3-2-4-19(29-14)21-18(15-5-10-20-27-13-28-32(20)11-15)12-33(31-21)22(34)30-17-8-6-16(7-9-17)23(24,25)26/h2-13H,1H3,(H,30,34)
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| InChIKey |
ILYFHQSYVIIYCN-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