Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
LB85LX
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Ligand Name |
4-Phenyl-1-[1,2,4]triazol-1-yl-butan-2-one
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Synonyms |
4-Phenyl-1-[1,2,4]triazol-1-yl-butan-2-one; 1092851-29-0; 1093058-26-4; 4-phenyl-1-(1,2,4-triazol-1-yl)butan-2-one; 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one; CHEMBL1235557; SCHEMBL10247229; BDBM84805; 1-azolyl-4-phenyl-2-butanone, 7; ZINC58649870; 4-phenyl-1-(1h-1,2,4-triazol-1-yl)-2-butanone; A1-03045; Q27464692
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Structure |
Download2D MOL |
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Formula |
C12H13N3O
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Canonical SMILES |
C1=CC=C(C=C1)CCC(=O)CN2C=NC=N2
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InChI |
1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
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InChIKey |
WVMHBWUDAPTOQF-UHFFFAOYSA-N
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PubChem Compound ID |
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