General Information of the Compound
| Compound ID |
CP0424930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,4-dichlorophenyl)-2-(6-phenylpurin-9-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Formula |
C19H12Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
383.238
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(C(=O)Cn2cnc3c(ncnc23)-c2ccccc2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H12Cl2N4O/c20-13-6-7-14(15(21)8-13)16(26)9-25-11-24-18-17(22-10-23-19(18)25)12-4-2-1-3-5-12/h1-8,10-11H,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYTCULYYEXFDEZ-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 | |||||||||||||||||||
| 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