General Information of the Compound
| Compound ID |
CP0903659
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-5-((1H-imidazol-4-yl)methyl)-11-benzyl-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 |
C32H38N6O4
|
||||||||||||||||||
| Molecular Weight |
570.694
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1c[nH]cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N6O4/c39-29-27(19-23-9-2-1-3-10-23)37-31(41)32(14-6-7-15-32)38-30(40)26(20-25-21-33-22-36-25)34-17-18-42-28-13-5-4-11-24(28)12-8-16-35-29/h1-5,8-13,21-22,26-27,34H,6-7,14-20H2,(H,33,36)(H,35,39)(H,37,41)(H,38,40)/b12-8-/t26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFVRTAKGEZGJLI-QFYDASNSSA-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