General Information of the Compound
| Compound ID |
CP0537572
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,2-dichloro-1-[(Z)-[[(6-chloropyridin-3-yl)amino]-(cyanoamino)methylidene]amino]propyl]-3-methoxypyridine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16Cl3N7O2
|
||||||||||||||||||
| Molecular Weight |
456.721
|
||||||||||||||||||
| Canonical SMILES |
COc1cnccc1C(=O)NC(N\C(Nc1ccc(Cl)nc1)=N\C#N)C(C)(Cl)Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16Cl3N7O2/c1-17(19,20)15(26-14(28)11-5-6-22-8-12(11)29-2)27-16(24-9-21)25-10-3-4-13(18)23-7-10/h3-8,15H,1-2H3,(H,26,28)(H2,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AESZSGCXHOXOAR-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