General Information of the Compound
| Compound ID |
CP0965989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-(3-(4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)benzamido)benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N6O3
|
||||||||||||||||||
| Molecular Weight |
402.414
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N6O3/c1-26-13-22-11-19(26)18-12-27(25-24-18)17-8-4-5-14(10-17)20(28)23-16-7-3-6-15(9-16)21(29)30-2/h3-13H,1-2H3,(H,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
APJRWMOKPUNSPX-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