General Information of the Compound
| Compound ID |
CP0579699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-(7,7-difluoro-3-azabicyclo[4.1.0]heptan-6-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H22F5NO2
|
||||||||||||||||||
| Molecular Weight |
523.501
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C23CCNCC2C3(F)F)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H22F5NO2/c31-29(32)26-16-36-12-11-28(26,29)22-6-3-18(4-7-22)25-15-21(27(37)38)14-20-13-19(5-10-24(20)25)17-1-8-23(9-2-17)30(33,34)35/h1-10,13-15,26,36H,11-12,16H2,(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRJGGMBEMQMFPE-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