General Information of the Compound
| Compound ID |
CP0633616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4Z)-6-(4-Methoxyphenyl)-4-({[4-(piperidin-1-ylmethyl)phenyl]-amino}methylene)-isoquinoline-1,3(2H,4H)-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C29H29N3O3
|
||||||||||||||||||
| Molecular Weight |
467.569
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N3O3/c1-35-24-12-7-21(8-13-24)22-9-14-25-26(17-22)27(29(34)31-28(25)33)18-30-23-10-5-20(6-11-23)19-32-15-3-2-4-16-32/h5-14,17-18,30H,2-4,15-16,19H2,1H3,(H,31,33,34)/b27-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJIPVBVDKKXKDL-IMRQLAEWSA-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