Ce-326597
N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
Molecular Identity
Ce-326597
N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
PubChem CID: 52949124
2D Structure
Properties
C37H34N6O2
Molecular Formula
594.70
Molecular Weight
g/mol
594.2743
Exact Mass
Da
5.8
XLogP
Above Lipinski threshold
87.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C(C2=O)CC6=CNC7=CC=CC=C76Isomeric SMILES
SMILES: CC(C)N(CC1=CC=CC=C1)C(=O)CN2C3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)[C@@H](C2=O)CC6=CNC7=CC=CC=C76Synonyms(20)
CE-3265971FGZ6L9SF2CE-326,597870615-40-06H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (-)-6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (S)-N-benzyl-2-((4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-(1,2,4)triazolo(3,4-d)(1,5)benzodiazepin-6-yl)-N-propan-2-ylacetamideN-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamideRefChem:124157N-benzyl-2-((7S)-7-((1H-indol-3-yl)methyl)-8-oxo-3-phenyl-2,4,5,9-tetraazatricyclo(8.4.0.0^(2,6))tetradeca-1(14),3,5,10,12-pentaen-9-yl)-N-(propan-2-yl)acetamideUNII-1FGZ6L9SF2CE 326597CHEMBL1269258(S)-2-(4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4,5-dihydro-6H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6-yl)-N-benzyl-N-isopropylacetamideGTPL9055
Data from PubChem (NCBI)
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