General Information of the Compound
| Compound ID |
CP0635236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4Z)-4-({[4-(Morpholin-4-ylmethyl)phenyl]amino}methylene)-isoquinoline-1,3(2H,4H)-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C21H21N3O3
|
||||||||||||||||||
| Molecular Weight |
363.417
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)c2ccccc2/C1=C/Nc1ccc(CN2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O3/c25-20-18-4-2-1-3-17(18)19(21(26)23-20)13-22-16-7-5-15(6-8-16)14-24-9-11-27-12-10-24/h1-8,13,22H,9-12,14H2,(H,23,25,26)/b19-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGTKPCJRCUCQMA-UYRXBGFRSA-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