General Information of the Compound
| Compound ID |
CP0276502
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-chloro-4-fluoroanilino)-7-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-6-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClFN5O3
|
||||||||||||||||||
| Molecular Weight |
417.828
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2nc1NC(=O)C=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClFN5O3/c1-3-16(27)25-18-15(29-7-6-28-2)9-14-17(26-18)19(23-10-22-14)24-11-4-5-13(21)12(20)8-11/h3-5,8-10H,1,6-7H2,2H3,(H,22,23,24)(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITJFSLJZVPCUFT-UHFFFAOYSA-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