ID: | 313 | |
---|---|---|
Name: | BBCPD17 | |
Description: | Systematic name: N-(2-(((5-((Dimethylamino)methyl)-2-furyl)methyl)sulfanyl]ethyl)-3-nitro-1H-pyrrol-2-amine. SMILES did not match name, SMILES changed (SciFinder name: BBCPD 17) | |
Labels: | Blood, in_vivo | |
CAS: | ||
InChi Code: | InChI=1S/C14H20N4O3S/c1-17(2)9-11-3-4-12(21-11)10-22-8-7-16-14-13(18(19)20)5-6-15-14/h3-6,15-16H,7-10H2,1-2H3 |
logBB: Blood-brain distribution
Value | Source or prediction |
---|---|
-1.12 |
experimental value |
-0.823 |
Eq2: Model for drug-like chemicals, in vivo (Training set) |
-0.7943 |
Eq5: Model for all chemicals, in vivo and in vitro (Training set) |