General Information of the Compound
| Compound ID |
CP0176163
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| Compound Name |
4-[[8-(1-cyclopentylpyrazol-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 |
C21H20N6O2
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| Molecular Weight |
388.431
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| Canonical SMILES |
OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCC2)cc1
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| InChI |
InChI=1S/C21H20N6O2/c28-20(29)14-7-9-16(10-8-14)23-21-24-19-18(6-3-11-26(19)25-21)15-12-22-27(13-15)17-4-1-2-5-17/h3,6-13,17H,1-2,4-5H2,(H,23,25)(H,28,29)
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| InChIKey |
ORKMOELSWADEED-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