General Information of the Compound
| Compound ID |
CP0460893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,6S,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-2,2,4,11-tetramethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H41NO6
|
||||||||||||||||||
| Molecular Weight |
475.626
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H41NO6/c1-6-7-8-9-13-16-23-19(2)25(31)34-27(3,4)26(32)28(5)21(22(29)18-24(30)33-23)17-20-14-11-10-12-15-20/h10-12,14-15,19,21-23,29H,6-9,13,16-18H2,1-5H3/t19-,21-,22-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDBPETVFTOPHDM-XXTHSBEZSA-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