General Information of the Compound
| Compound ID |
CP0371775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl]-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27NO3
|
||||||||||||||||||
| Molecular Weight |
341.451
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)CC1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27NO3/c1-21-8-7-16-15-6-4-14(23)9-12(15)3-5-17(16)18(21)10-13(20(21)25)11-19(24)22-2/h4,6,9,13,16-18,23H,3,5,7-8,10-11H2,1-2H3,(H,22,24)/t13?,16-,17-,18+,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGAXMSUTCOBBFZ-UUYXJCFFSA-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