General Information of the Compound
| Compound ID |
CP0502638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(12R)-5,13-dimethyl-4-oxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),5,8,16(20),17-heptaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19NO
|
||||||||||||||||||
| Molecular Weight |
289.378
|
||||||||||||||||||
| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1ccc2cc(C)oc2c-31
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19NO/c1-12-10-15-7-6-14-11-17-18-13(8-9-21(17)2)4-3-5-16(18)19(14)20(15)22-12/h3-7,10,17H,8-9,11H2,1-2H3/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RUWAMTNSIGQJMG-QGZVFWFLSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor