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5813-90-1 | 9H-Xanthene-9-carboxamide
CAS No: 5813-90-1 Catalog No: AG003VC0 MDL No:MFCD00173894
Product Description
Catalog Number:
AG003VC0
Chemical Name:
9H-Xanthene-9-carboxamide
CAS Number:
5813-90-1
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
MDL Number:
MFCD00173894
IUPAC Name:
9H-xanthene-9-carboxamide
InChI:
InChI=1S/C14H11NO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H2,15,16)
InChI Key:
WEDLKOCAEPRSPJ-UHFFFAOYSA-N
SMILES:
NC(=O)C1c2ccccc2Oc2c1cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
| Structure-activity relationships of xanthene carboxamides, novel CCR1 receptor antagonists. | Bioorganic & medicinal chemistry 20030320 |
| Xanthamide fluorescent dyes. | Analytical chemistry 20021215 |
| A small-molecule antagonist of human and murine CCR1 receptors. | Expert opinion on investigational drugs 20010701 |
| Design, synthesis, and discovery of a novel CCR1 antagonist. | Journal of medicinal chemistry 20010426 |
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