General Information of the Compound
| Compound ID |
CP0955475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(Aminomethyl)-6-(1-phenyl-1H-1,2,3-triazol-4-yl)-4H-chromen-4-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClN4O2
|
||||||||||||||||||
| Molecular Weight |
354.797
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCc1cc(=O)c2cc(-c3cn(-c4ccccc4)nn3)ccc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14N4O2.ClH/c19-10-14-9-17(23)15-8-12(6-7-18(15)24-14)16-11-22(21-20-16)13-4-2-1-3-5-13;/h1-9,11H,10,19H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVFMCMCDMFYQLS-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