General Information of the Compound
| Compound ID |
CP0014001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-aminophenyl)-4-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentanoylamino]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C33H33N7O7
|
||||||||||||||||||
| Molecular Weight |
639.669
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H33N7O7/c34-22-7-1-2-8-23(22)38-30(44)19-11-13-20(14-12-19)37-26(41)10-3-4-17-35-28(43)18-36-24-9-5-6-21-29(24)33(47)40(32(21)46)25-15-16-27(42)39-31(25)45/h1-2,5-9,11-14,25,36H,3-4,10,15-18,34H2,(H,35,43)(H,37,41)(H,38,44)(H,39,42,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SRCGSXKCMDYLRX-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 | |||||||||||||||||||
| 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: PT00835, Histone deacetylase 2