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Home > Indoles and Oxindole > 38073-22-2
38073-22-2 | 4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
CAS No: 38073-22-2 Catalog No: AG01DI5B MDL No:MFCD20266076
Product Description
Catalog Number:
AG01DI5B
Chemical Name:
4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one
CAS Number:
38073-22-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD20266076
IUPAC Name:
3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
InChI:
InChI=1S/C11H10N2O/c14-11-8-2-1-3-9-10(8)7(6-13-9)4-5-12-11/h1-3,6,13H,4-5H2,(H,12,14)
InChI Key:
AGPZUEDYVLUKMF-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c3c1cccc3[nH]c2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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