General Information of the Compound
| Compound ID |
CP0198568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(2-aminophenyl)-1-N-[3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H23N7O2
|
||||||||||||||||||
| Molecular Weight |
501.55
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(cn2)-c2cccnc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H23N7O2/c30-25-8-1-2-9-26(25)36-28(38)20-12-10-19(11-13-20)27(37)34-23-6-3-7-24(15-23)35-29-32-17-22(18-33-29)21-5-4-14-31-16-21/h1-18H,30H2,(H,34,37)(H,36,38)(H,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNLVVTGACFLHMS-UHFFFAOYSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6