General Information of the Compound
| Compound ID |
CP0480209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(4- chlorophenyl)cyclobutyl]-5- [(7-methyl-6-oxo-purin-1- yl)methyl]-1,3,4-oxadiazol- 2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C19H17ClN6O3
|
||||||||||||||||||
| Molecular Weight |
412.837
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN6O3/c1-24-9-21-17-16(24)18(27)25(10-22-17)8-15-23-26(19(28)29-15)14-6-12(7-14)11-2-4-13(20)5-3-11/h2-5,9-10,12,14H,6-8H2,1H3/t12-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYWFSLKYTRCPPA-MQMHXKEQSA-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 | |||||||||||||||||||
| 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