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: CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCC(CC4)OC5=CC=CC=N5)C1Isomeric SMILES
SMILES: CN1CC2=C(C=CC(=C2)Cl)N3C(=NN=C3C4CCC(CC4)OC5=CC=CC=N5)C1Synonyms(20)
Balovaptan1228088-30-9RG7314RAX5D5AGV6RO5285119Balovaptan [INN]Balovaptan [USAN]RG-73148-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepineRo-5285119SCHEMBL33321368-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]diazepineSB19643HY-109024A1EB7
Data from PubChem (NCBI)
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