General Information of the Compound
| Compound ID |
CP0918548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3,3a,5,6,7,9a-hexahydro-pyrrolo[1,2-a]purin-(9Z)-ylideneamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H12BrN5
|
||||||||||||||||||
| Molecular Weight |
342.2
|
||||||||||||||||||
| Canonical SMILES |
N=c1c2nc[nH]c2nc2n1CC/C2=C\c1ccccc1Br
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H12BrN5/c16-11-4-2-1-3-9(11)7-10-5-6-21-13(17)12-14(19-8-18-12)20-15(10)21/h1-4,7-8,17H,5-6H2,(H,18,19)/b10-7+,17-13?
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKCDJIYCIXFFSO-DNKAYRMDSA-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