General Information of the Compound
| Compound ID |
CP0883376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-11-benzyl-5-isopropyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,4'-piperidine]-6,9,12(7H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H41N5O4
|
||||||||||||||||||
| Molecular Weight |
547.7
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCNCC2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41N5O4/c1-22(2)27-29(38)36-31(14-17-32-18-15-31)30(39)35-25(21-23-9-4-3-5-10-23)28(37)34-16-8-12-24-11-6-7-13-26(24)40-20-19-33-27/h3-13,22,25,27,32-33H,14-21H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)/b12-8-/t25-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWDUMLZEPLOBKQ-HZZSYRDHSA-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