General Information of the Compound
| Compound ID |
CP0957739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(Aminomethyl)-7-((4-(trifluoromethyl)benzyl)oxy)-4H-chromen-4-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClF3NO3
|
||||||||||||||||||
| Molecular Weight |
385.769
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(=O)c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14F3NO3.ClH/c19-18(20,21)12-3-1-11(2-4-12)10-24-13-5-6-15-16(23)7-14(9-22)25-17(15)8-13;/h1-8H,9-10,22H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGMWJYKOXGNUMR-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