General Information of the Compound
| Compound ID |
CP0492811
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(2-methylpyridin-4-yl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H18F2N2O2S
|
||||||||||||||||||
| Molecular Weight |
436.483
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H18F2N2O2S/c1-14-12-17(10-11-27-14)23-20(13-21(29)30)31-24(28-23)22(15-2-6-18(25)7-3-15)16-4-8-19(26)9-5-16/h2-12,22H,13H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTDPZJOYVSBVPB-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