General Information of the Compound
| Compound ID |
CP0100828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(1,1-Dimethylethyl)phenyl]-8-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-8-azabicyclo-[3.2.1]octane
Show/Hide
|
||||||||||||||||||
| Formula |
C27H37N5OS
|
||||||||||||||||||
| Molecular Weight |
479.694
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2[C@H]3CC[C@@H]2C[C@@H](C3)c2ccc(cc2)C(C)(C)C)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N5OS/c1-18-24(33-17-28-18)25-29-30-26(31(25)5)34-14-6-13-32-22-11-12-23(32)16-20(15-22)19-7-9-21(10-8-19)27(2,3)4/h7-10,17,20,22-23H,6,11-16H2,1-5H3/t20-,22+,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIJSJQXDPUAQLO-UADZTWIMSA-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