General Information of the Compound
| Compound ID |
CP0902264
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(4-fluorophenoxy)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45ClFN3O3
|
||||||||||||||||||
| Molecular Weight |
586.192
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(F)cc3)c1)CC2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44FN3O3.ClH/c1-2-3-19-37-31(38)30(24-25-8-5-4-6-9-25)35-32(39)33(37)17-21-36(22-18-33)20-16-26-10-7-11-29(23-26)40-28-14-12-27(34)13-15-28;/h7,10-15,23,25,30H,2-6,8-9,16-22,24H2,1H3,(H,35,39);1H/t30-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEZVBLWENMRKTO-CZCBIWLKSA-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