General Information of the Compound
| Compound ID |
CP0505487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(2,6-Dichloro-phenyl)-meth-(E)-ylidene]-1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14Cl2N2
|
||||||||||||||||||
| Molecular Weight |
329.23
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Cl)c1\C=C1/CCN2Cc3ccccc3N=C12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14Cl2N2/c19-15-5-3-6-16(20)14(15)10-12-8-9-22-11-13-4-1-2-7-17(13)21-18(12)22/h1-7,10H,8-9,11H2/b12-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYXFRELMSOBDRS-ZRDIBKRKSA-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