General Information of the Compound
| Compound ID |
CP0453061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[9-(2-bromo-4-propan-2-ylphenyl)-2-methylpurin-6-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29BrN6
|
||||||||||||||||||
| Molecular Weight |
445.409
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCN(C)C)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29BrN6/c1-7-27(11-10-26(5)6)20-19-21(25-15(4)24-20)28(13-23-19)18-9-8-16(14(2)3)12-17(18)22/h8-9,12-14H,7,10-11H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQYBIKNWBCYFQI-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