General Information of the Compound
| Compound ID |
CP0567203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(E)-2-[(4aR,6aR,7S,8S,10aS,10bR)-3,3,6a,10b-tetramethylspiro[1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-8,2'-oxirane]-7-yl]ethenyl]-5-[3-(trifluoromethyl)phenyl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36F3NO3
|
||||||||||||||||||
| Molecular Weight |
527.627
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC[C@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(CO2)[C@H]3\C=C\c2ccc(cn2)-c2cccc(c2)C(F)(F)F)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36F3NO3/c1-27(2)36-18-29(4)24-12-15-30(19-37-30)25(28(24,3)14-13-26(29)38-27)11-10-23-9-8-21(17-35-23)20-6-5-7-22(16-20)31(32,33)34/h5-11,16-17,24-26H,12-15,18-19H2,1-4H3/b11-10+/t24-,25-,26+,28+,29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWGCPWPGZCOHQC-UMFQDUJDSA-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