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Home > Indoles and Oxindole > 912999-06-5
912999-06-5 | (1,3-dihydroisoindol-2-yl)-(5-ethyl-2,4-dihydroxyphenyl)methanone
CAS No: 912999-06-5 Catalog No: AG00H4T6 MDL No:
Product Description
Catalog Number:
AG00H4T6
Chemical Name:
(1,3-dihydroisoindol-2-yl)-(5-ethyl-2,4-dihydroxyphenyl)methanone
CAS Number:
912999-06-5
IUPAC Name:
1,3-dihydroisoindol-2-yl-(5-ethyl-2,4-dihydroxyphenyl)methanone
InChI:
InChI=1S/C17H17NO3/c1-2-11-7-14(16(20)8-15(11)19)17(21)18-9-12-5-3-4-6-13(12)10-18/h3-8,19-20H,2,9-10H2,1H3
InChI Key:
LWKQBIRSZKDRSA-UHFFFAOYSA-N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design. | Journal of medicinal chemistry 20100826 |
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