10967/132 - QDB Compounds

QsarDB Repository

Abraham, M. H.; Ibrahim, A.; Zhao, Y.; Acree, W. E. A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data. J. Pharm. Sci. 2006, 95, 10, 2091–2100.

Compound

ID:216
Name:Oxazepam
Description:
Labels:Blood, in_vivo
CAS:
InChi Code:InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)

Properties

logBB: Blood-brain distribution

ValueSource or prediction
0.61

experimental value

0.289

Eq2: Model for drug-like chemicals, in vivo (Training set)

0.2716

Eq5: Model for all chemicals, in vivo and in vitro (Training set)

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