General Information of the Compound
| Compound ID |
CP0468096
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| Compound Name |
8-(2-fluorophenyl)-5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
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| Structure |
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| Formula |
C18H12FN5O
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| Molecular Weight |
333.326
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| Canonical SMILES |
Fc1ccccc1-c1cc(C#N)c(NCc2ccco2)n2cnnc12
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| InChI |
InChI=1S/C18H12FN5O/c19-16-6-2-1-5-14(16)15-8-12(9-20)17(24-11-22-23-18(15)24)21-10-13-4-3-7-25-13/h1-8,11,21H,10H2
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| InChIKey |
XONOYNOZMFMROO-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