General Information of the Compound
| Compound ID |
CP0282664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,5R)-3-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F3N4S
|
||||||||||||||||||
| Molecular Weight |
458.553
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(SCCCN2C[C@@H]3C[C@@]3(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F3N4S/c1-30-21(17-6-3-2-4-7-17)28-29-22(30)32-13-5-12-31-15-20-14-23(20,16-31)18-8-10-19(11-9-18)24(25,26)27/h2-4,6-11,20H,5,12-16H2,1H3/t20-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPSCTAUZOJQHBV-NZQKXSOJSA-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