General Information of the Compound
| Compound ID |
CP0566549
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(4-fluorophenoxy)propyl]-1-[4-(trifluoromethyl)phenyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17F4N3O
|
||||||||||||||||||
| Molecular Weight |
355.335
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(OCCCNC(=N)Nc2ccc(cc2)C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17F4N3O/c18-13-4-8-15(9-5-13)25-11-1-10-23-16(22)24-14-6-2-12(3-7-14)17(19,20)21/h2-9H,1,10-11H2,(H3,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSZIMJLFQMYTIP-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