General Information of the Compound
| Compound ID |
CP0486171
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| Compound Name |
5-(3-chlorophenylethynyl)-5-methyl[1,2,4]triazine
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| Synonyms |
1,2,4-Triazine, 3-[2-(3-chlorophenyl)ethynyl]-5-methyl-
5-(3-chlorophenylethynyl)-5-methyl[1,2,4]triazine
945915-51-5
BDBM50215448
CHEMBL390802
SCHEMBL4290682
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| Structure |
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| Formula |
C12H8ClN3
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| Molecular Weight |
229.67
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| Canonical SMILES |
Cc1cnnc(n1)C#Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C12H8ClN3/c1-9-8-14-16-12(15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3
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| InChIKey |
KPQLYWIRBOHKMO-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