General Information of the Compound
| Compound ID |
CP0579697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[(1S,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H24F3NO2
|
||||||||||||||||||
| Molecular Weight |
487.521
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)[C@H]2C[C@@H]3CN[C@H]2C3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24F3NO2/c31-30(32,33)24-8-5-18(6-9-24)21-7-10-25-22(13-21)14-23(29(35)36)15-26(25)19-1-3-20(4-2-19)27-11-17-12-28(27)34-16-17/h1-10,13-15,17,27-28,34H,11-12,16H2,(H,35,36)/t17-,27+,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVISRHKXWJRZIX-ROXWKXMQSA-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