General Information of the Compound
| Compound ID |
CP0545749
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| Compound Name |
3-(4-amino-7-(1-methyl-1H-pyrazol-5-yl)-2-(pyridin-2-ylmethyl)-2H-[1,2,3]triazolo[4,5-c]pyridin-6-yl)-2-fluorobenzonitrile
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| Structure |
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| Formula |
C22H16FN9
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| Molecular Weight |
425.431
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| Canonical SMILES |
Cn1nccc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F
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| InChI |
InChI=1S/C22H16FN9/c1-31-16(8-10-27-31)17-19(15-7-4-5-13(11-24)18(15)23)28-22(25)21-20(17)29-32(30-21)12-14-6-2-3-9-26-14/h2-10H,12H2,1H3,(H2,25,28)
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| InChIKey |
WDIMPXNTABEEDG-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