General Information of the Compound
| Compound ID |
CP0345734
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-((3-(8-(trifluoromethyl)quinolin-4-yl)phenyl)methylamino)naphthalen-1-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H21F3N2O2
|
||||||||||||||||||
| Molecular Weight |
486.493
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1cccc2c(NCc3cccc(c3)-c3ccnc4c(cccc34)C(F)(F)F)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H21F3N2O2/c30-29(31,32)25-11-3-10-24-22(13-14-33-28(24)25)19-6-1-5-18(15-19)17-34-26-12-4-8-21-20(16-27(35)36)7-2-9-23(21)26/h1-15,34H,16-17H2,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLJKCCPSAPDTDJ-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 | |||||||||||||||||||
| ChEMBL 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