General Information of the Compound
| Compound ID |
CP0511089
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| Compound Name |
3-(2-(3-methoxyphenyl)ethynyl)-5-methyl-1,2,4-triazine
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| Structure |
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| Formula |
C13H11N3O
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| Molecular Weight |
225.251
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| Canonical SMILES |
COc1cccc(c1)C#Cc1nncc(C)n1
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| InChI |
InChI=1S/C13H11N3O/c1-10-9-14-16-13(15-10)7-6-11-4-3-5-12(8-11)17-2/h3-5,8-9H,1-2H3
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| InChIKey |
ZDORFMORGROZIL-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