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Home > Indoles and Oxindole > 139655-06-4
139655-06-4 | 9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-
CAS No: 139655-06-4 Catalog No: AG001BG8 MDL No:
Product Description
Catalog Number:
AG001BG8
Chemical Name:
9H-Pyrido[3,4-b]indole, 1-(4-methoxyphenyl)-
CAS Number:
139655-06-4
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C18H14N2O/c1-21-13-8-6-12(7-9-13)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-11,20H,1H3
InChI Key:
WDIUWGRQGCKYNE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nccc2c1[nH]c1c2cccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Beta-carbolines as specific inhibitors of cyclin-dependent kinases. | Bioorganic & medicinal chemistry letters 20020408 |
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