AXT914
1-[(4-bromophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
Molecular Identity
AXT914
1-[(4-bromophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one
PubChem CID: 59259095
2D Structure
Properties
C27H23BrN2O2
Molecular Formula
487.40
Molecular Weight
g/mol
486.0943
Exact Mass
Da
6.3
XLogP
Above Lipinski threshold
41.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
725
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC=C(C=C4)BrIsomeric SMILES
SMILES: CC(C)C1=CC=C(C=C1)C2=NC(=O)N(C3=C2C=C(C=C3)OCC#C)CC4=CC=C(C=C4)BrSynonyms(17)
AXT914AXT-914CHEMBL60679921-((4-bromophenyl)methyl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one1-[(4-bromophenyl)methyl]-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-one1-((4-Bromophenyl)methyl)-4-(4-(1-methylethyl)phenyl)-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone1-[(4-Bromophenyl)methyl]-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-2(1H)-quinazolinone2(1H)-Quinazolinone, 1-((4-bromophenyl)methyl)-4-(4-(1-methylethyl)phenyl)-6-(2-propyn-1-yloxy)-2(1H)-Quinazolinone, 1-[(4-bromophenyl)methyl]-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-yloxy)-RefChem:916560717104-43-3QY6UD4M2XQorb3136568SCHEMBL3187088GTPL10696
Data from PubChem (NCBI)
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Drug Network
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