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40107-93-5 | 6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CAS No: 40107-93-5 Catalog No: AG0034BE MDL No:MFCD12923779
Product Description
Catalog Number:
AG0034BE
Chemical Name:
6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CAS Number:
40107-93-5
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD12923779
IUPAC Name:
6,7-dihydropyrrolo[3,4-b]pyridin-5-one
InChI:
InChI=1S/C7H6N2O/c10-7-5-2-1-3-8-6(5)4-9-7/h1-3H,4H2,(H,9,10)
InChI Key:
IPMQFUGFGHJSEI-UHFFFAOYSA-N
SMILES:
O=C1NCc2c1cccn2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Identification of a sirtuin 3 inhibitor that displays selectivity over sirtuin 1 and 2. | European journal of medicinal chemistry 20120901 |
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