General Information of the Compound
| Compound ID |
CP0389849
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-methyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]quinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F3N5O4
|
||||||||||||||||||
| Molecular Weight |
541.53
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCOC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F3N5O4/c1-17-22-16-19(32-24(36)9-4-18-2-6-21(7-3-18)39-27(28,29)30)5-8-23(22)33-25(31-17)34-12-10-20(11-13-34)35-14-15-38-26(35)37/h2-9,16,20H,10-15H2,1H3,(H,32,36)/b9-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAPBXAOIQWVKOY-RUDMXATFSA-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