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861891-50-1 | Necrosis Inhibitor, IM-54
CAS No: 861891-50-1 Catalog No: AG004SW0 MDL No:MFCD18382109
Product Description
Catalog Number:
AG004SW0
Chemical Name:
Necrosis Inhibitor, IM-54
CAS Number:
861891-50-1
Molecular Formula:
C19H23N3O2
Molecular Weight:
325.4048
MDL Number:
MFCD18382109
IUPAC Name:
1-methyl-3-(1-methylindol-3-yl)-4-(pentylamino)pyrrole-2,5-dione
InChI:
InChI=1S/C19H23N3O2/c1-4-5-8-11-20-17-16(18(23)22(3)19(17)24)14-12-21(2)15-10-7-6-9-13(14)15/h6-7,9-10,12,20H,4-5,8,11H2,1-3H3
InChI Key:
SGLOMINNEBLJFF-UHFFFAOYSA-N
SMILES:
CCCCCNC1=C(C(=O)N(C1=O)C)c1cn(c2c1cccc2)C
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.179g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.412g/mol
Monoisotopic Mass:
325.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Inhibition of hydrogen peroxide-induced necrotic cell death with 3-amino-2-indolylmaleimide derivatives. | Bioorganic & medicinal chemistry letters 20050615 |
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