General Information of the Compound
| Compound ID |
CP0858976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(4-methyl-2-(4-(3-oxomorpholino)piperidin-1-yl)quinazolin-6-yl)-3-(4-(trifluoromethoxy)phenyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28F3N5O4
|
||||||||||||||||||
| Molecular Weight |
555.557
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N2CCC(N3CCOCC3=O)CC2)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28F3N5O4/c1-18-23-16-20(33-25(37)9-4-19-2-6-22(7-3-19)40-28(29,30)31)5-8-24(23)34-27(32-18)35-12-10-21(11-13-35)36-14-15-39-17-26(36)38/h2-9,16,21H,10-15,17H2,1H3,(H,33,37)/b9-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKOTWZZRMWMDNI-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