General Information of the Compound
| Compound ID |
CP0960126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-11-benzyl-5-(biphenyl-4-ylmethyl)-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 |
C41H44N4O4
|
||||||||||||||||||
| Molecular Weight |
656.827
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc(-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H44N4O4/c46-38-36(29-30-12-3-1-4-13-30)44-40(48)41(23-9-10-24-41)45-39(47)35(28-31-19-21-33(22-20-31)32-14-5-2-6-15-32)42-26-27-49-37-18-8-7-16-34(37)17-11-25-43-38/h1-8,11-22,35-36,42H,9-10,23-29H2,(H,43,46)(H,44,48)(H,45,47)/b17-11-/t35-,36-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTLHXRAEZUOQMV-TYKGLLOUSA-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