General Information of the Compound
| Compound ID |
CP0635724
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-Chloro-pyridin-2-yl)-5-(isobutyryl-methyl-amino)-N-(5-methyl-pyrazin-2-ylmethyl)-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN5O2
|
||||||||||||||||||
| Molecular Weight |
423.904
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)N(C)c1cc(C(=O)NCc2cnccn2)cc(-c2ccc(Cl)cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN5O2/c1-14(2)22(30)28(3)19-9-15(20-5-4-17(23)11-26-20)8-16(10-19)21(29)27-13-18-12-24-6-7-25-18/h4-12,14H,13H2,1-3H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTUSWQWBVRKTRE-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