General Information of the Compound
| Compound ID |
CP0461813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2R,5R,6R,7R)-3-benzyl-2-phenyl-7-pyrrolidin-1-yl-3-azabicyclo[3.2.0]heptan-6-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N2O
|
||||||||||||||||||
| Molecular Weight |
362.517
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H]1[C@@H]2CN(Cc3ccccc3)[C@H]([C@@H]2[C@H]1N1CCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N2O/c27-17-21-20-16-26(15-18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)22(20)24(21)25-13-7-8-14-25/h1-6,9-12,20-24,27H,7-8,13-17H2/t20-,21+,22+,23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSLYNHHGHMPLKL-JTKSJCOOSA-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
Protein ID: PT00943, D(3) dopamine receptor