General Information of the Compound
| Compound ID |
CP0864413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-5-sec-butyl-11-(3-chlorobenzyl)-2,3,4,5,10,11,14,15-octahydrospiro[benzo[n][1,4,7,10]tetraazacyclononadecine-8,1'-cyclopentane]-6,9,12(1H,7H,13H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H45ClN4O3
|
||||||||||||||||||
| Molecular Weight |
593.212
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCc2ccccc2/C=C\CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H45ClN4O3/c1-3-24(2)30-32(41)39-34(18-7-8-19-34)33(42)38-29(23-25-12-10-17-28(35)22-25)31(40)37-20-9-6-15-26-13-4-5-14-27(26)16-11-21-36-30/h4-6,10,12-15,17,22,24,29-30,36H,3,7-9,11,16,18-21,23H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)/b15-6-/t24-,29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGYUBGDBGMBJSM-NQJIQKMASA-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