General Information of the Compound
| Compound ID |
CP0522642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-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-methyloctanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H53NO3
|
||||||||||||||||||
| Molecular Weight |
535.813
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccccc1)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/C35H53NO3/c1-34-20-18-28(37)23-27(34)22-26(33-29-16-17-31(38)35(29,2)21-19-30(33)34)14-10-5-4-6-11-15-32(39)36(3)24-25-12-8-7-9-13-25/h7-9,12-13,26-27,29-31,33,38H,4-6,10-11,14-24H2,1-3H3/t26?,27-,29-,30-,31-,33-,34-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKZUOKFOHVGCAU-RUYIVQJOSA-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