General Information of the Compound
| Compound ID |
CP0401027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-2,4,11-trimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H43NO7
|
||||||||||||||||||
| Molecular Weight |
505.652
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H43NO7/c1-6-7-8-9-13-16-24-20(2)28(32)35-21(3)27(31)29(4)23(17-22-14-11-10-12-15-22)25(34-19-33-5)18-26(30)36-24/h10-12,14-15,20-21,23-25H,6-9,13,16-19H2,1-5H3/t20-,21-,23-,24+,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PPKAEAOAOBQBQA-LYIXCCSJSA-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