General Information of the Compound
| Compound ID |
CP0494220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-oxo-2-(quinolin-8-ylamino)ethyl] (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C40H46N2O5
|
||||||||||||||||||
| Molecular Weight |
634.817
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)OCC(=O)Nc1cccc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H46N2O5/c1-24-26-12-13-30-38(4,27(26)21-29(43)34(24)45)17-19-40(6)31-22-37(3,15-14-36(31,2)16-18-39(30,40)5)35(46)47-23-32(44)42-28-11-7-9-25-10-8-20-41-33(25)28/h7-13,20-21,31,45H,14-19,22-23H2,1-6H3,(H,42,44)/t31-,36-,37-,38+,39-,40+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMFJLBYTNNKIKG-XJNOSGGDSA-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 | |||||||||||||||||||
| 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