General Information of the Compound
| Compound ID |
CP0530304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(Z)-[[(5-bromopyridin-3-yl)amino]-(cyanoamino)methylidene]amino]-2,2-dichloropropyl]-3,5-dichlorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13BrCl4N6O
|
||||||||||||||||||
| Molecular Weight |
539.048
|
||||||||||||||||||
| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1cncc(Br)c1)=N\C#N)NC(=O)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13BrCl4N6O/c1-17(21,22)15(27-14(29)9-2-11(19)5-12(20)3-9)28-16(25-8-23)26-13-4-10(18)6-24-7-13/h2-7,15H,1H3,(H,27,29)(H2,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRSNOWVESGXSLO-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