General Information of the Compound
| Compound ID |
CP0489433
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-pyrrolidin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22F3NO2
|
||||||||||||||||||
| Molecular Weight |
461.483
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2CCNC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22F3NO2/c29-28(30,31)24-8-5-17(6-9-24)20-7-10-25-22(13-20)14-23(27(33)34)15-26(25)19-3-1-18(2-4-19)21-11-12-32-16-21/h1-10,13-15,21,32H,11-12,16H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBMZKRBRULTTHZ-UHFFFAOYSA-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