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Home > Indoles and Oxindole > 125-13-3
125-13-3 | 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-
CAS No: 125-13-3 Catalog No: AG000MYN MDL No:
Product Description
Catalog Number:
AG000MYN
Chemical Name:
2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxyphenyl)-
CAS Number:
125-13-3
Molecular Formula:
C20H15NO3
Molecular Weight:
317.3380
IUPAC Name:
3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
InChI:
InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)
InChI Key:
SJDACOMXKWHBOW-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2
EC Number:
204-728-1
UNII:
3BT0VQG2GQ
NSC Number:
59814
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.344g/mol
Monoisotopic Mass:
317.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). | PLoS computational biology 20111201 |
| Ornidazole-induced autoimmune hepatitis. | The Turkish journal of gastroenterology : the official journal of Turkish Society of Gastroenterology 20111001 |
| Novel small molecule drugs inhibit tumor cell metabolism and show potent anti-tumorigenic potential. | Cancer chemotherapy and pharmacology 20110701 |
| Synthesis and antitumor effect in vitro and in vivo of substituted 1,3-dihydroindole-2-ones. | Journal of medicinal chemistry 20101014 |
| Early detection of response to experimental chemotherapeutic Top216 with [18F]FLT and [18F]FDG PET in human ovary cancer xenografts in mice. | PloS one 20100101 |
| Syntheses and antiproliferative evaluation of oxyphenisatin derivatives. | Bioorganic & medicinal chemistry letters 20070515 |
| Hepatic drug metabolism and adverse hepatic drug reactions. | Veterinary pathology 19750101 |
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