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81721-79-1 | 6-(2-HYDROXYETHYL)-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS No: 81721-79-1 Catalog No: AG008LRR MDL No:
Product Description
Catalog Number:
AG008LRR
Chemical Name:
6-(2-HYDROXYETHYL)-5H-INDENO[1,2-C]ISOQUINOLINE-5,11(6H)-DIONE
CAS Number:
81721-79-1
Molecular Formula:
C18H13NO3
Molecular Weight:
291.3007
IUPAC Name:
6-(2-hydroxyethyl)indeno[1,2-c]isoquinoline-5,11-dione
InChI:
InChI=1S/C18H13NO3/c20-10-9-19-16-12-6-2-3-7-13(12)17(21)15(16)11-5-1-4-8-14(11)18(19)22/h1-8,20H,9-10H2
InChI Key:
UHXGJXGJNJTBRV-UHFFFAOYSA-N
SMILES:
OCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2
NSC Number:
339705
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.306g/mol
Monoisotopic Mass:
291.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of the first dual tyrosyl-DNA phosphodiesterase I (Tdp1)-topoisomerase I (Top1) inhibitors. | Journal of medicinal chemistry 20120510 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Synthesis and anticancer activity of simplified indenoisoquinoline topoisomerase I inhibitors lacking substituents on the aromatic rings. | Journal of medicinal chemistry 20041104 |
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