General Information of the Compound
| Compound ID |
CP0482145
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[9-benzyl-6-(4-bromoanilino)purin-2-yl]amino]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21BrN6O
|
||||||||||||||||||
| Molecular Weight |
453.344
|
||||||||||||||||||
| Canonical SMILES |
CC(O)CNc1nc(Nc2ccc(Br)cc2)c2ncn(Cc3ccccc3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21BrN6O/c1-14(29)11-23-21-26-19(25-17-9-7-16(22)8-10-17)18-20(27-21)28(13-24-18)12-15-5-3-2-4-6-15/h2-10,13-14,29H,11-12H2,1H3,(H2,23,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIKYDKZDNZVKPV-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