General Information of the Compound
| Compound ID |
CP0571758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2-methyl-4-[2-(trifluoromethyl)prop-2-enoyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21Cl2F4N5O4
|
||||||||||||||||||
| Molecular Weight |
602.372
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC(=O)N1CCN(C[C@H]1C)C(=O)C(=C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21Cl2F4N5O4/c1-12-10-35(23(37)13(2)25(29,30)31)6-7-36(12)24(38)40-19-8-14-17(9-18(19)39-3)32-11-33-22(14)34-16-5-4-15(26)20(27)21(16)28/h4-5,8-9,11-12H,2,6-7,10H2,1,3H3,(H,32,33,34)/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXPJZVZBEOYHAJ-GFCCVEGCSA-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 | |||||||||||||||||||
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