General Information of the Compound
| Compound ID |
CP0633456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4Z)-6-Nitro-4-{[(4-piperidin-1-ylmethyl)phenyl]amino}methyleneisoquinoline-1,3(2H,4H)-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22N4O4
|
||||||||||||||||||
| Molecular Weight |
406.442
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)c2ccc([N+](=O)[O-])cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O4/c27-21-18-9-8-17(26(29)30)12-19(18)20(22(28)24-21)13-23-16-6-4-15(5-7-16)14-25-10-2-1-3-11-25/h4-9,12-13,23H,1-3,10-11,14H2,(H,24,27,28)/b20-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHUGAARGCBVRQY-MOSHPQCFSA-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