General Information of the Compound
| Compound ID |
CP0397920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F3N4O3
|
||||||||||||||||||
| Molecular Weight |
488.51
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(CCCO)c1nc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N4O3/c1-16(2)32(13-4-14-33)24-29-17(3)21-15-19(8-11-22(21)31-24)30-23(34)12-7-18-5-9-20(10-6-18)35-25(26,27)28/h5-12,15-16,33H,4,13-14H2,1-3H3,(H,30,34)/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAWJVHHEJRNEDX-KPKJPENVSA-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