General Information of the Compound
| Compound ID |
CP0917660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-benzyl-1-butyl-9-(3-(phenylthio)phenethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H46ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
584.27
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Sc3ccccc3)c1)CC2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H45N3O2S.ClH/c1-2-3-20-36-31(37)30(25-26-11-6-4-7-12-26)34-32(38)33(36)18-22-35(23-19-33)21-17-27-13-10-16-29(24-27)39-28-14-8-5-9-15-28;/h5,8-10,13-16,24,26,30H,2-4,6-7,11-12,17-23,25H2,1H3,(H,34,38);1H/t30-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOOCTRGCFKUTBK-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