General Information of the Compound
| Compound ID |
CP0421468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(E)-[4-chloro-3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H9Cl2F3N4
|
||||||||||||||||||
| Molecular Weight |
301.099
|
||||||||||||||||||
| Canonical SMILES |
Cl.NC(=N)N\N=C\c1ccc(Cl)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H8ClF3N4.ClH/c10-7-2-1-5(4-16-17-8(14)15)3-6(7)9(11,12)13;/h1-4H,(H4,14,15,17);1H/b16-4+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMYOUCJVJYJITH-CQCNNJTASA-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
Protein ID: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2