General Information of the Compound
| Compound ID |
CP0437259
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-butyl-12-[(7R,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl]-N-methyldodecanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H63NO3
|
||||||||||||||||||
| Molecular Weight |
557.904
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(C)C(=O)CCCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H63NO3/c1-5-6-24-37(4)33(40)17-15-13-11-9-7-8-10-12-14-16-27-25-28-26-29(38)20-22-35(28,2)31-21-23-36(3)30(34(27)31)18-19-32(36)39/h27-28,30-32,34,39H,5-26H2,1-4H3/t27-,28?,30+,31+,32+,34+,35+,36+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGAJUWQBOPSNNC-KVCIQLCGSA-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