General Information of the Compound
| Compound ID |
CP0571894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(1R,4R,5S)-5-hydroxy-2-azabicyclo[2.2.2]octan-5-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H26F3NO3
|
||||||||||||||||||
| Molecular Weight |
517.547
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)[C@]2(O)C[C@H]3CC[C@@H]2CN3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26F3NO3/c32-31(33,34)24-8-1-18(2-9-24)20-5-12-27-21(13-20)14-22(29(36)37)15-28(27)19-3-6-23(7-4-19)30(38)16-26-11-10-25(30)17-35-26/h1-9,12-15,25-26,35,38H,10-11,16-17H2,(H,36,37)/t25-,26-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDICBXOKCHRLGB-VOKYQHOCSA-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 | |||||||||||||||||||
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