General Information of the Compound
| Compound ID |
CP0393851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(10R)-10-(methylamino)-3-[8-(4-phenylbutoxy)octyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41N3O2
|
||||||||||||||||||
| Molecular Weight |
463.666
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H]1Cc2cccc3n(CCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41N3O2/c1-30-26-22-25-17-13-18-27-28(25)32(23-26)29(33)31(27)19-10-4-2-3-5-11-20-34-21-12-9-16-24-14-7-6-8-15-24/h6-8,13-15,17-18,26,30H,2-5,9-12,16,19-23H2,1H3/t26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGNVJFHGWZQUHS-AREMUKBSSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor