General Information of the Compound
Compound ID |
CP0464164
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Compound Name |
4-(3,4,5-trimethoxyphenyl)-5-cyano-2H-1,2,3-triazole
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Structure |
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Formula |
C12H12N4O3
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Molecular Weight |
260.253
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Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nn[nH]c1C#N
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InChI |
InChI=1S/C12H12N4O3/c1-17-9-4-7(5-10(18-2)12(9)19-3)11-8(6-13)14-16-15-11/h4-5H,1-3H3,(H,14,15,16)
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InChIKey |
YSERCXMDLKSYIW-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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