General Information of the Compound
| Compound ID |
CP0435830
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-3,5,5-trimethylimidazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34F3N5O6S
|
||||||||||||||||||
| Molecular Weight |
649.692
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)N(c2cc(C)c(CCS(=O)(=O)N3CCC4(CC3)N=C(NC4=O)c3ccc(OC(F)(F)F)cc3)c(C)c2)C(C)(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34F3N5O6S/c1-18-16-21(38-27(41)36(5)26(40)28(38,3)4)17-19(2)23(18)10-15-45(42,43)37-13-11-29(12-14-37)25(39)34-24(35-29)20-6-8-22(9-7-20)44-30(31,32)33/h6-9,16-17H,10-15H2,1-5H3,(H,34,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTOXPUGEZLCNSC-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