General Information of the Compound
| Compound ID |
CP0880977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8-chloro-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C7H4ClN5O2
|
||||||||||||||||||
| Molecular Weight |
225.595
|
||||||||||||||||||
| Canonical SMILES |
N#CCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C7H4ClN5O2/c8-6-10-3-4(11-6)13(2-1-9)7(15)12-5(3)14/h2H2,(H,10,11)(H,12,14,15)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMFCBPYKFPCFEQ-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