General Information of the Compound
| Compound ID |
CP0489250
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]quinazolin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O4
|
||||||||||||||||||
| Molecular Weight |
458.518
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O4/c1-2-33-22-11-6-5-10-21(22)30-24(27-20-9-4-3-8-19(20)25(30)31)18-28-13-15-29(16-14-28)26(32)23-12-7-17-34-23/h3-12,17H,2,13-16,18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHDOHFGVTGMBDX-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
Protein ID: PT02791, Hypoxia-inducible factor 1-alpha
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic