General Information of the Compound
| Compound ID |
CP0378458
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(5S,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,N-dimethylheptanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H47NO3
|
||||||||||||||||||
| Molecular Weight |
445.688
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)CCCCCCC1C[C@H]2CC(=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/C28H47NO3/c1-27-15-13-21(30)18-20(27)17-19(9-7-5-6-8-10-25(32)29(3)4)26-22-11-12-24(31)28(22,2)16-14-23(26)27/h19-20,22-24,26,31H,5-18H2,1-4H3/t19?,20-,22-,23-,24-,26-,27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTJCFCARYHSLOR-MVEHLLDSSA-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