General Information of the Compound
| Compound ID |
CP0875148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-11-(3-bromobenzyl)-5-sec-butyl-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 |
C32H41BrN4O4
|
||||||||||||||||||
| Molecular Weight |
625.608
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccc(Br)c2)NC(=O)C2(CCCC2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H41BrN4O4/c1-3-22(2)28-30(39)37-32(15-6-7-16-32)31(40)36-26(21-23-10-8-13-25(33)20-23)29(38)35-17-9-12-24-11-4-5-14-27(24)41-19-18-34-28/h4-5,8-14,20,22,26,28,34H,3,6-7,15-19,21H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/b12-9-/t22-,26-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYBHPUHTYVHTTF-VOMUXUTNSA-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