General Information of the Compound
| Compound ID |
CP0496600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-Amino-6-(5-bromo-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzamidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19BrN6O
|
||||||||||||||||||
| Molecular Weight |
427.306
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Br)cc1-c1cc(Nc2ccc(cc2)C(N)=N)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19BrN6O/c1-2-27-16-8-5-12(20)9-14(16)15-10-17(26-19(23)25-15)24-13-6-3-11(4-7-13)18(21)22/h3-10H,2H2,1H3,(H3,21,22)(H3,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLDGCKHLVAORGY-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