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53462-75-2 | 1,3-Dihydropyrrolo[4,3,2-de]isoquinoline-5(4H)-one
CAS No: 53462-75-2 Catalog No: AG00DUG2 MDL No:
Product Description
Catalog Number:
AG00DUG2
Chemical Name:
1,3-Dihydropyrrolo[4,3,2-de]isoquinoline-5(4H)-one
CAS Number:
53462-75-2
IUPAC Name:
2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-7-one
InChI:
InChI=1S/C10H8N2O/c13-10-7-2-1-3-8-9(7)6(4-11-8)5-12-10/h1-4,11H,5H2,(H,12,13)
InChI Key:
PYLXNOZFJZQGBX-UHFFFAOYSA-N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Novel tricyclic poly(ADP-ribose) polymerase-1 inhibitors with potent anticancer chemopotentiating activity: design, synthesis, and X-ray cocrystal structure. | Journal of medicinal chemistry 20021107 |
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