General Information of the Compound
| Compound ID |
CP0233158
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| Compound Name |
4-[[8-(1-cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C22H22N6O2/c29-21(30)15-8-10-17(11-9-15)24-22-25-20-19(7-4-12-27(20)26-22)16-13-23-28(14-16)18-5-2-1-3-6-18/h4,7-14,18H,1-3,5-6H2,(H,24,26)(H,29,30)
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| InChIKey |
ILLVVCCWYJBGMD-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