General Information of the Compound
| Compound ID |
CP0911455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-11-benzyl-2,3,4,5,10,11,13,14,15,16-decahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N4O4
|
||||||||||||||||||
| Molecular Weight |
492.62
|
||||||||||||||||||
| Canonical SMILES |
O=C1CNCCOc2ccccc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N4O4/c33-25-20-29-17-18-36-24-13-5-4-11-22(24)12-8-16-30-26(34)23(19-21-9-2-1-3-10-21)31-27(35)28(32-25)14-6-7-15-28/h1-5,9-11,13,23,29H,6-8,12,14-20H2,(H,30,34)(H,31,35)(H,32,33)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LPLCZAPLVNXBOA-QHCPKHFHSA-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