General Information of the Compound
Compound ID |
CP0336732
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-Anilinopyrido[3,4-d]pyrimidine 7
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C17H14BrN5O
|
||||||||||||||||||
Molecular Weight |
384.237
|
||||||||||||||||||
Canonical SMILES |
CN(C(=O)C=C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C17H14BrN5O/c1-3-16(24)23(2)15-8-13-14(9-19-15)20-10-21-17(13)22-12-6-4-5-11(18)7-12/h3-10H,1H2,2H3,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
InChIKey |
RCWLMTHCAVCUFY-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