General Information of the Compound
| Compound ID |
CP0045249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(3-bromophenyl)-6-N-[3-(1H-imidazol-1-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18BrN7
|
||||||||||||||||||
| Molecular Weight |
424.306
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18BrN7/c20-14-3-1-4-15(9-14)26-19-16-10-18(23-11-17(16)24-12-25-19)22-5-2-7-27-8-6-21-13-27/h1,3-4,6,8-13H,2,5,7H2,(H,22,23)(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IUQWETRSDSASNL-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