General Information of the Compound
| Compound ID |
CP0635809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4Z)-6-(4-Phenoxyphenyl)-(4-({[4-piperidin-1-ylmethyl]phenyl}-amino)methylene)}isoquinoline-1,3(2H,4H)-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C34H31N3O3
|
||||||||||||||||||
| Molecular Weight |
529.64
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)cc2/C1=C\Nc1ccc(CN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H31N3O3/c38-33-30-18-13-26(25-11-16-29(17-12-25)40-28-7-3-1-4-8-28)21-31(30)32(34(39)36-33)22-35-27-14-9-24(10-15-27)23-37-19-5-2-6-20-37/h1,3-4,7-18,21-22,35H,2,5-6,19-20,23H2,(H,36,38,39)/b32-22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVEGYIGDYDWWMF-WEMUVCOSSA-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 | |||||||||||||||||||
| 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