General Information of the Compound
| Compound ID |
CP0354658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-5-[4-methyl-5-[3-[1-[2-methyl-4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26F3N5OS
|
||||||||||||||||||
| Molecular Weight |
477.556
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CC3(C2)c2ccc(cc2C)C(F)(F)F)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F3N5OS/c1-14-9-16(23(24,25)26)5-6-18(14)22-10-17(22)11-31(12-22)7-4-8-33-21-29-28-20(30(21)3)19-15(2)27-13-32-19/h5-6,9,13,17H,4,7-8,10-12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFCVKULFYARZLT-UHFFFAOYSA-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