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100823-03-8 | 1H-Isoindole-1,3(2H)-dione, 5-amino-2-[2,6-bis(1-methylethyl)phenyl]-
CAS No: 100823-03-8 Catalog No: AG0002YC MDL No:
Product Description
Catalog Number:
AG0002YC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-amino-2-[2,6-bis(1-methylethyl)phenyl]-
CAS Number:
100823-03-8
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
5-amino-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H22N2O2/c1-11(2)14-6-5-7-15(12(3)4)18(14)22-19(23)16-9-8-13(21)10-17(16)20(22)24/h5-12H,21H2,1-4H3
InChI Key:
NRPIRIUWEKTNGQ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)C(=O)N(C2=O)c1c(cccc1C(C)C)C(C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| A phthalimide derivative that inhibits centrosomal clustering is effective on multiple myeloma. | PloS one 20120101 |
| Inhibitors of NF-kappaB derived from thalidomide. | Bioorganic & medicinal chemistry letters 20071101 |
| Angiogenesis inhibitors derived from thalidomide. | Bioorganic & medicinal chemistry letters 20051215 |
| Cell differentiation inducers derived from thalidomide. | Bioorganic & medicinal chemistry letters 20050701 |
| Tubulin-polymerization inhibitors derived from thalidomide. | Bioorganic & medicinal chemistry letters 20050117 |
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