General Information of the Compound
| Compound ID |
CP0381785
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4aR,10aR)-4-propyl-2-(1,2,4-triazol-1-ylmethyl)-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazin-9-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24N4O2
|
||||||||||||||||||
| Molecular Weight |
328.416
|
||||||||||||||||||
| Canonical SMILES |
CCCN1C[C@@H](Cn2cncn2)O[C@@H]2Cc3c(O)cccc3C[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24N4O2/c1-2-6-21-9-14(10-22-12-19-11-20-22)24-18-8-15-13(7-16(18)21)4-3-5-17(15)23/h3-5,11-12,14,16,18,23H,2,6-10H2,1H3/t14-,16+,18+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZWLDSMYMFIKPT-YXJHDRRASA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor