General Information of the Compound
| Compound ID |
CP0482024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)piperidin-1-yl]-4-methylquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27F3N6O4S
|
||||||||||||||||||
| Molecular Weight |
576.601
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CCNS1(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27F3N6O4S/c1-17-22-16-19(32-24(36)9-4-18-2-6-21(7-3-18)39-26(27,28)29)5-8-23(22)33-25(31-17)34-13-10-20(11-14-34)35-15-12-30-40(35,37)38/h2-9,16,20,30H,10-15H2,1H3,(H,32,36)/b9-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
REZGOENDOBTDIU-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