General Information of the Compound
| Compound ID |
CP0871223
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-11-benzyl-5-(4-methoxybenzyl)-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H42N4O5
|
||||||||||||||||||
| Molecular Weight |
610.755
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C[C@@H]2NCCOc3ccccc3/C=C\CNC(=O)[C@H](Cc3ccccc3)NC(=O)C3(CCCC3)NC2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H42N4O5/c1-44-29-17-15-27(16-18-29)24-30-34(42)40-36(19-7-8-20-36)35(43)39-31(25-26-10-3-2-4-11-26)33(41)38-21-9-13-28-12-5-6-14-32(28)45-23-22-37-30/h2-6,9-18,30-31,37H,7-8,19-25H2,1H3,(H,38,41)(H,39,43)(H,40,42)/b13-9-/t30-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHHGGMRDCIXGKX-TVIVIDCRSA-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