General Information of the Compound
| Compound ID |
CP0637771
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Methoxy-4-[(4-piperidin-1-ylmethyl-phenylamino)-methylene]-4H-isoquinoline-1,3-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25N3O3
|
||||||||||||||||||
| Molecular Weight |
391.471
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(c1)/C(=C/Nc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O3/c1-29-18-9-10-19-20(13-18)21(23(28)25-22(19)27)14-24-17-7-5-16(6-8-17)15-26-11-3-2-4-12-26/h5-10,13-14,24H,2-4,11-12,15H2,1H3,(H,25,27,28)/b21-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIZIUNBOJMLGEC-STZFKDTASA-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