General Information of the Compound
| Compound ID |
CP0510045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-Chloro-2-ethoxy-phenyl)-N*4*-(4-nitro-phenyl)-pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16ClN5O3
|
||||||||||||||||||
| Molecular Weight |
385.811
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(cc2)[N+]([O-])=O)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClN5O3/c1-2-27-16-8-3-11(19)9-14(16)15-10-17(23-18(20)22-15)21-12-4-6-13(7-5-12)24(25)26/h3-10H,2H2,1H3,(H3,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWHPDYVWWJDUIC-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