General Information of the Compound
| Compound ID |
CP0853479
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (3-((4R,4aR,5R,11bS)-5-hydroxy-4,11b-dimethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-4-carboxamido)propyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38N2O5
|
||||||||||||||||||
| Molecular Weight |
470.61
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)NCCCNC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N2O5/c1-25(2,3)34-24(32)29-12-7-11-28-23(31)27(5)10-6-9-26(4)19-16-21-17(8-13-33-21)14-18(19)15-20(30)22(26)27/h8,13-14,16,20,22,30H,6-7,9-12,15H2,1-5H3,(H,28,31)(H,29,32)/t20-,22-,26-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLNDKXQMPBUDDL-SXRLTGKGSA-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