General Information of the Compound
| Compound ID |
CP0496892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(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-methyl-N-propan-2-yloctanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H53NO3
|
||||||||||||||||||
| Molecular Weight |
487.769
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C)C(=O)CCCCCCCC1C[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/C31H53NO3/c1-21(2)32(5)28(35)12-10-8-6-7-9-11-22-19-23-20-24(33)15-17-30(23,3)26-16-18-31(4)25(29(22)26)13-14-27(31)34/h21-23,25-27,29,34H,6-20H2,1-5H3/t22?,23-,25-,26-,27-,29-,30-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARTZLFGRBPRUSQ-CASJYSRLSA-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