General Information of the Compound
| Compound ID |
CP0909219
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,4aR,5R,11bS)-4-((3-((tert-butoxycarbonyl)amino)propyl)carbamoyl)-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-5-yl acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H40N2O6
|
||||||||||||||||||
| Molecular Weight |
512.647
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@@H]1Cc2cc3ccoc3cc2[C@@]2(C)CCC[C@@](C)(C(=O)NCCCNC(=O)OC(C)(C)C)[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H40N2O6/c1-18(32)36-23-16-20-15-19-9-14-35-22(19)17-21(20)28(5)10-7-11-29(6,24(23)28)25(33)30-12-8-13-31-26(34)37-27(2,3)4/h9,14-15,17,23-24H,7-8,10-13,16H2,1-6H3,(H,30,33)(H,31,34)/t23-,24-,28-,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVHOIWNCJRBQRU-ALMNYQQGSA-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