General Information of the Compound
| Compound ID |
CP0420260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-5-[4-methyl-5-[3-[6-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]propylsulfanyl]-1,2,4-triazol-3-yl]-1,3-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25F3N6OS
|
||||||||||||||||||
| Molecular Weight |
478.544
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncoc1-c1nnc(SCCCN2CC3CN(C3C2)c2ccc(cc2)C(F)(F)F)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25F3N6OS/c1-14-19(32-13-26-14)20-27-28-21(29(20)2)33-9-3-8-30-10-15-11-31(18(15)12-30)17-6-4-16(5-7-17)22(23,24)25/h4-7,13,15,18H,3,8-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYCBASLVLXPETI-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: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2