General Information of the Compound
| Compound ID |
CP0485025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-8,9-dihydro-7H-pyrido[2,3-d]pyrrolo[1,2-a]pyrimidin-(5Z)-ylideneamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13BrN4
|
||||||||||||||||||
| Molecular Weight |
353.223
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccccc1\C=C1/CCn2c1nc1ncccc1c2=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13BrN4/c18-14-6-2-1-4-11(14)10-12-7-9-22-15(19)13-5-3-8-20-16(13)21-17(12)22/h1-6,8,10,19H,7,9H2/b12-10+,19-15?
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCONRXCNJWHBRJ-CUGSQWQISA-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