General Information of the Compound
| Compound ID |
CP0565522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2,2-dichloro-1-[(Z)-[[(6-chloropyridin-3-yl)amino]-(cyanoamino)methylidene]amino]propyl]-4-(trifluoromethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14Cl3F3N6O2
|
||||||||||||||||||
| Molecular Weight |
509.703
|
||||||||||||||||||
| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1ccc(Cl)nc1)=N\C#N)NC(=O)c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14Cl3F3N6O2/c1-17(20,21)15(30-16(27-9-25)28-11-4-7-13(19)26-8-11)29-14(31)10-2-5-12(6-3-10)32-18(22,23)24/h2-8,15H,1H3,(H,29,31)(H2,27,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNBLOEIDPDZODR-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