General Information of the Compound
| Compound ID |
CP0570643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(3-azabicyclo[4.1.0]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)C23CC2CNCC3)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H24F3NO2/c31-30(32,33)24-8-1-18(2-9-24)20-5-10-26-21(13-20)14-22(28(35)36)15-27(26)19-3-6-23(7-4-19)29-11-12-34-17-25(29)16-29/h1-10,13-15,25,34H,11-12,16-17H2,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIQDGCKGKQJSQK-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