General Information of the Compound
| Compound ID |
CP0421580
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8R,9S,13R,14R,15S)-N-ethyl-13-methyl-3-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-15-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H44N2O2
|
||||||||||||||||||
| Molecular Weight |
452.683
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)[C@H]1CC[C@@]2(C)CC[C@H]3[C@@H](CCc4cc(OCCCN5CCC[C@H]5C)ccc34)[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H44N2O2/c1-4-30-28(32)26-13-15-29(3)14-12-24-23-11-9-22(19-21(23)8-10-25(24)27(26)29)33-18-6-17-31-16-5-7-20(31)2/h9,11,19-20,24-27H,4-8,10,12-18H2,1-3H3,(H,30,32)/t20-,24-,25-,26+,27-,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNBNRRZULRWOQK-GIKUPPRISA-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