General Information of the Compound
| Compound ID |
CP0885905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID56322302
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H14Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
329.187
|
||||||||||||||||||
| Canonical SMILES |
N#CC1(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H14Cl2N4O2/c14-9-6-17-19(12(21)11(9)15)7-10(20)18-13(8-16)4-2-1-3-5-13/h6H,1-5,7H2,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBCGCOHDFODAHJ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8