General Information of the Compound
| Compound ID |
CP0480689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(2-Iodo-phenyl)-meth-(E)-ylidene]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-(9Z)-ylideneamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14IN3
|
||||||||||||||||||
| Molecular Weight |
399.235
|
||||||||||||||||||
| Canonical SMILES |
Ic1ccccc1\C=C1/CCn2c1nc1ccccc1c2=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14IN3/c19-15-7-3-1-5-12(15)11-13-9-10-22-17(20)14-6-2-4-8-16(14)21-18(13)22/h1-8,11,20H,9-10H2/b13-11+,20-17?
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFLSPNMEACALKF-NOYHUVOJSA-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