General Information of the Compound
| Compound ID |
CP0346837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-methyl-5,6,7,8,9,10,11,16-octahydrodibenzo[e,h]azacyclododecene-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25NO
|
||||||||||||||||||
| Molecular Weight |
295.426
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCc2ccccc2Cc2ccc(O)cc2CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25NO/c1-21-12-4-8-16-6-2-3-7-17(16)14-19-10-11-20(22)15-18(19)9-5-13-21/h2-3,6-7,10-11,15,22H,4-5,8-9,12-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHUNVFVEHNURLZ-UHFFFAOYSA-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: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor