General Information of the Compound
| Compound ID |
CP0505371
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| Compound Name |
3-(3-methylphenylethynyl)-5-methyl[1,2,4]triazine
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| Synonyms |
3-(3-methylphenylethynyl)-5-methyl[1,2,4]triazine
BDBM50215452
CHEMBL227200
SCHEMBL4298939
ZINC28701667
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| Structure |
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| Formula |
C13H11N3
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| Molecular Weight |
209.252
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| Canonical SMILES |
Cc1cccc(c1)C#Cc1nncc(C)n1
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| InChI |
InChI=1S/C13H11N3/c1-10-4-3-5-12(8-10)6-7-13-15-11(2)9-14-16-13/h3-5,8-9H,1-2H3
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| InChIKey |
SGAMWPHZFACGBU-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
Clinical Information about the Compound