General Information of the Compound
| Compound ID |
CP0347950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(furan-2-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N7O4
|
||||||||||||||||||
| Molecular Weight |
501.547
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1CN(Cc2ccco2)CCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N7O4/c34-25(29-14-19-3-4-22-23(12-19)37-18-36-22)13-20-15-31(16-21-2-1-11-35-21)9-10-33(20)24-5-6-28-26(30-24)32-8-7-27-17-32/h1-8,11-12,17,20H,9-10,13-16,18H2,(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZARLWMXTKBWNAF-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