General Information of the Compound
| Compound ID |
CP0070642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F6N2O4S
|
||||||||||||||||||
| Molecular Weight |
520.451
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCCO)C(=O)Nc1ncc(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F6N2O4S/c1-33-17-3-2-13(9-18(17)34-5-4-31)19(32)30-20-29-11-16(35-20)8-12-6-14(21(23,24)25)10-15(7-12)22(26,27)28/h2-3,6-7,9-11,31H,4-5,8H2,1H3,(H,29,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDXUZSUWYQGZES-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