General Information of the Compound
| Compound ID |
CP0412216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(2-Bromo-4-isopropyl-phenyl)-6-(2-methoxy-ethylamino)-2,7-dimethyl-7,9-dihydro-purin-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24BrN5O2
|
||||||||||||||||||
| Molecular Weight |
434.338
|
||||||||||||||||||
| Canonical SMILES |
COCCNc1nc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24BrN5O2/c1-11(2)13-6-7-15(14(20)10-13)25-18-16(24(4)19(25)26)17(21-8-9-27-5)22-12(3)23-18/h6-7,10-11H,8-9H2,1-5H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCNPXYIXDXEXKI-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