General Information of the Compound
| Compound ID |
CP0221794
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| Compound Name |
4-[[8-(2-propan-2-ylpyridin-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 |
C21H19N5O2
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| Molecular Weight |
373.416
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| Canonical SMILES |
CC(C)c1cc(ccn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
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| InChI |
InChI=1S/C21H19N5O2/c1-13(2)18-12-15(9-10-22-18)17-4-3-11-26-19(17)24-21(25-26)23-16-7-5-14(6-8-16)20(27)28/h3-13H,1-2H3,(H,23,25)(H,27,28)
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| InChIKey |
YQFDZCQBFKFMCM-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