General Information of the Compound
| Compound ID |
CP0185681
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[3-(dimethylamino)propyl]-5,11-dioxoindeno[1,2-c]isoquinoline-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N3O2
|
||||||||||||||||||
| Molecular Weight |
357.413
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccc(cc2c1=O)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N3O2/c1-24(2)10-5-11-25-20-16-6-3-4-7-17(16)21(26)19(20)15-9-8-14(13-23)12-18(15)22(25)27/h3-4,6-9,12H,5,10-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQANUQAHLBEXHV-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