General Information of the Compound
| Compound ID |
CP0942321
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,4aR,5R,11bS)-4,11b-dimethyl-4-(methylcarbamoyl)-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-5-yl acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27NO4
|
||||||||||||||||||
| Molecular Weight |
369.461
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](OC(C)=O)[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27NO4/c1-13(24)27-18-11-15-10-14-6-9-26-17(14)12-16(15)21(2)7-5-8-22(3,19(18)21)20(25)23-4/h6,9-10,12,18-19H,5,7-8,11H2,1-4H3,(H,23,25)/t18-,19-,21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRSCRCVZINDNJM-UGESXGAOSA-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