General Information of the Compound
Compound ID |
CP0464165
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Compound Name |
4-(2,3-dimethoxyphenyl)-5-cyano-2H-1,2,3-triazole
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Structure |
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Formula |
C11H10N4O2
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Molecular Weight |
230.227
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Canonical SMILES |
COc1cccc(-c2nn[nH]c2C#N)c1OC
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InChI |
InChI=1S/C11H10N4O2/c1-16-9-5-3-4-7(11(9)17-2)10-8(6-12)13-15-14-10/h3-5H,1-2H3,(H,13,14,15)
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InChIKey |
NSQUWOUGEKUVKL-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