General Information of the Compound
| Compound ID |
CP0434335
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| Compound Name |
4-(4-isopropylphenyl)-5-cyano-2H-1,2,3-triazole
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| Synonyms |
4-(4-isopropylphenyl)-5-cyano-2H-1,2,3-triazole
CHEMBL239895
SCHEMBL17969081
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| Structure |
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| Formula |
C12H12N4
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| Molecular Weight |
212.256
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| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nn[nH]c1C#N
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| InChI |
InChI=1S/C12H12N4/c1-8(2)9-3-5-10(6-4-9)12-11(7-13)14-16-15-12/h3-6,8H,1-2H3,(H,14,15,16)
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| InChIKey |
WEMPWGDVLUDOBY-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