General Information of the Compound
| Compound ID |
CP0406574
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| Compound Name |
5-methyl-3-(2-(3-(trifluoromethyl)phenyl)ethynyl)-1,2,4-triazine
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| Structure |
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| Formula |
C13H8F3N3
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| Molecular Weight |
263.222
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| Canonical SMILES |
Cc1cnnc(n1)C#Cc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H8F3N3/c1-9-8-17-19-12(18-9)6-5-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8H,1H3
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| InChIKey |
GSSJQBLTGAEIQZ-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