General Information of the Compound
| Compound ID |
CP0891746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-iodo-4-((4-nitro-2-(trifluoromethyl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H8F6IN5O3
|
||||||||||||||||||
| Molecular Weight |
583.186
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(-n2nnc(COc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2I)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H8F6IN5O3/c19-17(20,21)12-5-10(2-1-9(12)7-26)29-16(25)14(27-28-29)8-33-15-4-3-11(30(31)32)6-13(15)18(22,23)24/h1-6H,8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CIHSUXHITPXNLD-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