General Information of the Compound
| Compound ID |
CP0888361
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{4-[4-({(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]phenyl}methanesulfonamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H47ClN4O6S
|
||||||||||||||||||
| Molecular Weight |
663.281
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc1)CC2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H46N4O6S.ClH/c1-3-4-20-37-31(39)29(30(38)25-8-6-5-7-9-25)34-32(40)33(37)18-21-36(22-19-33)23-24-10-14-27(15-11-24)43-28-16-12-26(13-17-28)35-44(2,41)42;/h10-17,25,29-30,35,38H,3-9,18-23H2,1-2H3,(H,34,40);1H/t29-,30-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XQWKTWZVUZIMCP-GAQUOPITSA-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