General Information of the Compound
| Compound ID |
CP0212873
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,5S)-8-[4-(1,3-benzothiazol-2-yl)butyl]-3-(4-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClN2OS
|
||||||||||||||||||
| Molecular Weight |
427.013
|
||||||||||||||||||
| Canonical SMILES |
OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJEXSMOVRPPLBZ-VXMMSVGHSA-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: PT01005, D(2) dopamine receptor