General Information of the Compound
| Compound ID |
CP0922379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-({(3R)-1-Butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45ClN4O5
|
||||||||||||||||||
| Molecular Weight |
613.199
|
||||||||||||||||||
| Canonical SMILES |
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(N)=O)cc3)cc1)CC2.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44N4O5.ClH/c1-2-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(34)39;/h9-16,24,28-29,38H,2-8,17-22H2,1H3,(H2,34,39)(H,35,41);1H/t28-,29-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMBPLMHLODCLNZ-PQQSRXGVSA-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