General Information of the Compound
| Compound ID |
CP0637769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4Z)-4-({[4-(3,4-Dimethylpiperazin-1-yl)phenyl]amino}methylene)-6-iodoisoquinoline-1,3(2H,4H)-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C22H23IN4O2
|
||||||||||||||||||
| Molecular Weight |
502.356
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(I)cc43)cc2)CCN1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23IN4O2/c1-14-13-27(10-9-26(14)2)17-6-4-16(5-7-17)24-12-20-19-11-15(23)3-8-18(19)21(28)25-22(20)29/h3-8,11-12,14,24H,9-10,13H2,1-2H3,(H,25,28,29)/b20-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPTJTMKHNHBQCF-NDENLUEZSA-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