General Information of the Compound
| Compound ID |
CP0499340
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-1-yl]methyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26N2O5
|
||||||||||||||||||
| Molecular Weight |
482.536
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(OCC(O)=O)cc2)c2ccc(OCC#C)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26N2O5/c1-4-15-35-24-13-14-26-25(16-24)28(22-9-7-21(8-10-22)19(2)3)30-29(34)31(26)17-20-5-11-23(12-6-20)36-18-27(32)33/h1,5-14,16,19H,15,17-18H2,2-3H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGNMYAFGALQODU-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