General Information of the Compound
| Compound ID |
CP0441732
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-{[(2-Fluoro-benzyl)-propyl-amino]-methyl}-4-trifluoromethyl-thiazol-2-yl)-(2,4,6-trichloro-phenyl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18Cl3F4N3S
|
||||||||||||||||||
| Molecular Weight |
526.814
|
||||||||||||||||||
| Canonical SMILES |
CCCN(Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F)Cc1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18Cl3F4N3S/c1-2-7-31(10-12-5-3-4-6-16(12)25)11-17-19(21(26,27)28)30-20(32-17)29-18-14(23)8-13(22)9-15(18)24/h3-6,8-9H,2,7,10-11H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFAXFWWFLBWHEO-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