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20187-55-7 | Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-
CAS No: 20187-55-7 Catalog No: AG0027WQ MDL No:MFCD00866158
Product Description
Catalog Number:
AG0027WQ
Chemical Name:
Acetic acid, 2-[[1-(phenylmethyl)-1H-indazol-3-yl]oxy]-
CAS Number:
20187-55-7
Molecular Formula:
C16H14N2O3
Molecular Weight:
282.2940
MDL Number:
MFCD00866158
IUPAC Name:
2-(1-benzylindazol-3-yl)oxyacetic acid
InChI:
InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChI Key:
BYFMCKSPFYVMOU-UHFFFAOYSA-N
SMILES:
OC(=O)COc1nn(c2c1cccc2)Cc1ccccc1
EC Number:
243-569-2
UNII:
G4AG71204O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.299g/mol
Monoisotopic Mass:
282.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Discriminating between adaptive and carcinogenic liver hypertrophy in rat studies using logistic ridge regression analysis of toxicogenomic data: The mode of action and predictive models. | Toxicology and applied pharmacology 20170301 |
| Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). | PLoS computational biology 20111201 |
| Synthesis and biological evaluations of novel bendazac lysine analogues as potent anticataract agents. | Bioorganic & medicinal chemistry letters 20100401 |
| Gene expression profiling in rat liver treated with compounds inducing elevation of bilirubin. | Human & experimental toxicology 20090401 |
| Advances in pharmacological strategies for the prevention of cataract development. | Indian journal of ophthalmology 20090101 |
| Topical ocular delivery of NSAIDs. | The AAPS journal 20080601 |
| Medical treatment of cataract. | Clinical & experimental ophthalmology 20070101 |
| Bendazac lysine inhibition of human lens epithelial cell adhesion to polymethylmethacrylate intraocular lenses. | Ophthalmic research 20040101 |
| Antidenaturant drugs for cataract and other condensation diseases. | Medical hypotheses 20010101 |
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