General Information of the Compound
| Compound ID |
CP0392725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,12bS)-4-Fluoro-5,6,6a,7,8,12b-hexahydro-2,6-diaza-benzo[c]phenanthrene-10,11-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15FN2O2
|
||||||||||||||||||
| Molecular Weight |
286.306
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc2CC[C@H]3NCc4c(F)cncc4[C@@H]3c2cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15FN2O2/c17-12-7-18-5-11-10(12)6-19-13-2-1-8-3-14(20)15(21)4-9(8)16(11)13/h3-5,7,13,16,19-21H,1-2,6H2/t13-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPWOYQPDXBTFJT-CJNGLKHVSA-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