General Information of the Compound
| Compound ID |
CP0896475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2'-(8-chloro-2,6-dioxo-6,7-dihydro-1H-purine-1,3(2H)-diyl)diacetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H5ClN6O2
|
||||||||||||||||||
| Molecular Weight |
264.632
|
||||||||||||||||||
| Canonical SMILES |
N#CCn1c(=O)c2[nH]c(Cl)nc2n(CC#N)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H5ClN6O2/c10-8-13-5-6(14-8)15(3-1-11)9(18)16(4-2-12)7(5)17/h3-4H2,(H,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHWNCLGHBGOKLA-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