Balovaptan
8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular Identity
Balovaptan
8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
PubChem CID: 46200932
2D Structure
Properties
C22H24ClN5O
Molecular Formula
409.90
Molecular Weight
g/mol
409.1669
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
56.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
545
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Balovaptan1228088-30-9RG7314RO5285119Balovaptan [INN]Balovaptan [USAN]RG-7314RAX5D5AGV68-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepineRo-5285119A1EB78-Chloro-5-methyl-1-((1r,4r)-4-(pyridin-2-yloxy)cyclohexyl)-5,6-dihydro-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-5,6-dihydro-5-methyl-1-(trans-4-(2-pyridinyloxy)cyclohexyl)-8-chloro-5-methyl-1-{trans-4-[(pyridin-2-yl)oxy]cyclohexyl}-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepineBalovaptan?
Data from PubChem (NCBI)
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