General Information of the Compound
| Compound ID |
CP0462726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(4,4-dioxo-1-oxa-4lambda6-thia-8-azaspiro[4.5]decan-8-yl)-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-N,2-dimethylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H32F7N3O4S
|
||||||||||||||||||
| Molecular Weight |
687.678
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC2(CC1)OCCS2(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32F7N3O4S/c1-19-13-23(33)5-6-24(19)25-17-27(42-9-7-30(8-10-42)46-11-12-47(30,44)45)40-18-26(25)41(4)28(43)29(2,3)20-14-21(31(34,35)36)16-22(15-20)32(37,38)39/h5-6,13-18H,7-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGDAEJXIYKFTSC-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: PT01199, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor