General Information of the Compound
| Compound ID |
CP0391688
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| Compound Name |
2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]benzenecarbothioamide
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| Structure |
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| Formula |
C23H18FN7S
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| Molecular Weight |
443.511
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| Canonical SMILES |
Cc1cccc(n1)-c1[nH]c(CNC(=S)c2ccccc2F)nc1-c1ccc2ncnn2c1
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| InChI |
InChI=1S/C23H18FN7S/c1-14-5-4-8-18(28-14)22-21(15-9-10-20-26-13-27-31(20)12-15)29-19(30-22)11-25-23(32)16-6-2-3-7-17(16)24/h2-10,12-13H,11H2,1H3,(H,25,32)(H,29,30)
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| InChIKey |
VPHCXQPQVJOCBW-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