General Information of the Compound
| Compound ID |
CP0559063
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| Compound Name |
3-(4-amino-2-((3-fluoropyridin-2-yl)methyl)-7-(pyridin-4-yl)-2H-[1,2,3]triazolo[4,5-c]pyridin-6-yl)benzonitrile
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| Structure |
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| Formula |
C23H15FN8
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| Molecular Weight |
422.427
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| Canonical SMILES |
Nc1nc(-c2cccc(c2)C#N)c(-c2ccncc2)c2nn(Cc3ncccc3F)nc12
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| InChI |
InChI=1S/C23H15FN8/c24-17-5-2-8-28-18(17)13-32-30-21-19(15-6-9-27-10-7-15)20(29-23(26)22(21)31-32)16-4-1-3-14(11-16)12-25/h1-11H,13H2,(H2,26,29)
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| InChIKey |
UDTYMQWVZMEAGS-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