General Information of the Compound
| Compound ID |
CP0896044
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-cyclopropyl-N'-(3,4-dichlorophenyl)-2-oxoacetohydrazonoyl cyanide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H9Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
282.13
|
||||||||||||||||||
| Canonical SMILES |
N#C/C(=N\Nc1ccc(Cl)c(Cl)c1)C(=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H9Cl2N3O/c13-9-4-3-8(5-10(9)14)16-17-11(6-15)12(18)7-1-2-7/h3-5,7,16H,1-2H2/b17-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWIPWLJATQLORT-GZTJUZNOSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3