General Information of the Compound
| Compound ID |
CP0575000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(1R,5R)-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H26F3NO2
|
||||||||||||||||||
| Molecular Weight |
501.548
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2[C@H]3CC[C@H]2CNC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H26F3NO2/c32-31(33,34)26-10-7-18(8-11-26)21-9-12-27-24(13-21)14-25(30(36)37)15-28(27)19-1-3-20(4-2-19)29-22-5-6-23(29)17-35-16-22/h1-4,7-15,22-23,29,35H,5-6,16-17H2,(H,36,37)/t22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XPFXXNNDNHVSHS-GOTSBHOMSA-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