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CHEBI:232897 - 4-bromo-2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol

ChEBI IDCHEBI:232897
ChEBI Name4-bromo-2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC19H21BrN2O2
Net Charge0
Average Mass389.293
Monoisotopic Mass388.07864
SMILESCOc1cccc(C2=NC(C)(C)NC(c3cc(Br)ccc3O)C2)c1
InChIInChI=1S/C19H21BrN2O2/c1-19(2)21-16(12-5-4-6-14(9-12)24-3)11-17(22-19)15-10-13(20)7-8-18(15)23/h4-10,17,22-23H,11H2,1-3H3
InChIKeyBEJCJRYKASXBQI-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.5.1.18 (glutathione transferase) inhibitor  An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of a glutathione transferase (EC 2.5.1.18).
ChEBI Ontology
Outgoing Relation(s)
4-bromo-2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol (CHEBI:232897) has role EC 2.5.1.18 (glutathione transferase) inhibitor (CHEBI:76797)
4-bromo-2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol (CHEBI:232897) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4-bromo-2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol
Citations