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: | 328 | |
|---|---|---|
| Name: | M2L-663,581 | |
| Description: | Systematic name: 7-Chloro-3-[5-(1,2-dihydroxy-2-propanyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4,5-dihydro-6H-imidazo[1,5-a][1,4]benzodiazepin-6-one | |
| Labels: | Blood, in_vivo | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H16ClN5O4/c1-17(26,7-24)16-20-14(21-27-16)13-11-6-22(2)15(25)12-9(18)4-3-5-10(12)23(11)8-19-13/h3-5,8,24,26H,6-7H2,1-2H3 |
Properties
logBB: Blood-brain distribution
| Value | Source or prediction |
|---|---|
| -1.82 |
experimental value |
| -1.228 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
| -1.1949 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |