Netazepide
1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-(methylamino)phenyl]urea
Molecular Identity
Netazepide
1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-[3-(methylamino)phenyl]urea
PubChem CID: 9870520
2D Structure
Properties
C28H30N6O3
Molecular Formula
498.60
Molecular Weight
g/mol
498.2379
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
868
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4Isomeric SMILES
SMILES: CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4Synonyms(20)
Sograzepidenetazepide155488-25-8YF-476YF476YF 476HOU4I0G29Cnetazepida1-((3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1h-1,4-benzodiazepin-3-yl)-3-(3-(methylamino)phenyl)ureaDTXSID00165906netazepidum1-((3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)-3-(3-methylaminophenyl)urea1-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylaminophenyl)ureaRefChem:165541DTXCID4088397
Data from PubChem (NCBI)
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