General Information of the Compound
| Compound ID |
CP0379494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[(dimethylamino)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(1,5-dimethylpyrrolo[2,3-c]pyridin-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O
|
||||||||||||||||||
| Molecular Weight |
362.477
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(C)ncc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O/c1-15-9-19-11-20(25(4)21(19)12-23-15)22(27)26-8-7-17-10-16(13-24(2)3)5-6-18(17)14-26/h5-6,9-12H,7-8,13-14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEWNWDVCPPSWTG-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