General Information of the Compound
| Compound ID |
CP0633611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4Z)-6-[(4-Methyl-piperizin-1-yl)-4-({[4-(piperidin-1-ylmethyl)-phenyl]amino}methylene)isoquinoline-1,3(2H,4H)-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C27H33N5O2
|
||||||||||||||||||
| Molecular Weight |
459.594
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(c2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N5O2/c1-30-13-15-32(16-14-30)22-9-10-23-24(17-22)25(27(34)29-26(23)33)18-28-21-7-5-20(6-8-21)19-31-11-3-2-4-12-31/h5-10,17-18,28H,2-4,11-16,19H2,1H3,(H,29,33,34)/b25-18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYMAEUCHDVJVIA-BWAHOGKJSA-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