General Information of the Compound
| Compound ID |
CP0553363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-bromophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C14H12BrN5O
|
||||||||||||||||||
| Molecular Weight |
346.188
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc(NC(=O)c2ccn(Cn3cccn3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12BrN5O/c15-11-2-4-12(5-3-11)17-14(21)13-6-9-20(18-13)10-19-8-1-7-16-19/h1-9H,10H2,(H,17,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAAKYOVZHBOFEV-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 | |||||||||||||||||||
| 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