Plevitrexed
(2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
Molecular Identity
Plevitrexed
(2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
PubChem CID: 135430970
2D Structure
Properties
C26H25FN8O4
Molecular Formula
532.50
Molecular Weight
g/mol
532.1983
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
166
TPSA
May have limited oral absorption
4
H-Bond Donors
10
H-Bond Acceptors
1000
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Plevitrexed153537-73-6ZD9331ZD 9331ZD-9331BGC9331BGC 9331Bgc-9331NSC-696259L9P2881C3H(2S)-2-((4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)-2-fluorobenzoyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid(2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acidDTXSID101653511H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (alphaS)-Vamidex
Data from PubChem (NCBI)
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