General Information of the Compound
| Compound ID |
CP0851205
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-11-(4-aminobutyl)-5-isobutyl-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 |
C29H47N5O4
|
||||||||||||||||||
| Molecular Weight |
529.726
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](CCCCN)NC(=O)C2(CCCC2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H47N5O4/c1-21(2)20-24-27(36)34-29(14-6-7-15-29)28(37)33-23(12-5-8-16-30)26(35)32-17-9-11-22-10-3-4-13-25(22)38-19-18-31-24/h3-4,10,13,21,23-24,31H,5-9,11-12,14-20,30H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LJAYBNZBYUEZDN-ZEQRLZLVSA-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