General Information of the Compound
| Compound ID |
CP0455585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[2-phenyl-8-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-purin-6-yl]amino]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N8O2
|
||||||||||||||||||
| Molecular Weight |
526.645
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCNc1nc(nc2nc([nH]c12)C(=O)N1CCN(CCCc2ccccc2)CC1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N8O2/c1-21(38)30-14-15-31-26-24-27(34-25(33-26)23-12-6-3-7-13-23)35-28(32-24)29(39)37-19-17-36(18-20-37)16-8-11-22-9-4-2-5-10-22/h2-7,9-10,12-13H,8,11,14-20H2,1H3,(H,30,38)(H2,31,32,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBMDKBYCXHDEFF-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