Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07808"

Predicate	Value (sorted: default)
rdfs:label	"(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid"
rdf:type	ns1:drugs
ns1:description	" experimental This compound belongs to the anilides. These are organic heterocyclic compounds derived fromÂ oxoacidsÂ RkE(=O)l(OH)mÂ (lÂ not 0) by replacing anÂ OHÂ group by theÂ NHPh group or derivative formed by ring substitution. Anilides Organic Compounds Benzenoids Benzene and Substituted Derivatives Anilides Fluorobenzenes Aryl Fluorides Cyclopropanecarboxylic Acids Secondary Carboxylic Acid Amides Enolates Polyamines Carboxylic Acids Organofluorides fluorobenzene cyclopropanecarboxylic acid or derivative aryl halide cyclopropanecarboxylic acid aryl fluoride carboxamide group secondary carboxylic acid amide carboxylic acid derivative carboxylic acid enolate polyamine organofluoride amine organonitrogen compound organohalogen logP 1.22 ALOGPS logS -2.5 ALOGPS Water Solubility 7.28e-01 g/l ALOGPS logP 1.5 ChemAxon IUPAC Name (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid ChemAxon Traditional IUPAC Name (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid ChemAxon Molecular Weight 241.1909 ChemAxon Monoisotopic Weight 241.055049569 ChemAxon SMILES [H][C@@]1(C[C@@]1([H])C(=O)NC1=CC(F)=CC=C1F)C(O)=O ChemAxon Molecular Formula C11H9F2NO3 ChemAxon InChI InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1 ChemAxon InChIKey InChIKey=QTWGHTBKFVANGX-RQJHMYQMSA-N ChemAxon Polar Surface Area (PSA) 66.4 ChemAxon Refractivity 54.99 ChemAxon Polarizability 20.46 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 3.52 ChemAxon pKa (strongest basic) -4.5 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 7100107 PubChem Substance 99444279 ChemSpider 5448167 PDB G30 BE0002718 Beta-lactamase Escherichia coli # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Beta-lactamase Involved in beta-lactamase activity blaCTX-M-9a Cytoplasmic None 9.38 30952.0 Escherichia coli GenBank Gene Database AF252621 UniProtKB Q9L5C8 UniProt Accession Q9L5C8_ECOLX Beta-lactamase Betalactamase CTX-M-9 CTX-M-9 beta-lactamase >Beta-lactamase CTX-M-9a MVTKRVQRMMFAAAACIPLLLGSAPLYAQTSAVQQKLAALEKSSGGRLGVALIDTADNTQ VLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTM TLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDP RDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTAGDKTGS GDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEGL >876 bp ATGGTGACAAAGAGAGTGCAACGGATGATGTTCGCGGCGGCGGCGTGCATTCCGCTGCTG CTGGGCAGCGCGCCGCTTTATGCGCAGACGAGTGCGGTGCAGCAAAAGCTGGCGGCGCTG GAGAAAAGCAGCGGAGGGCGGCTGGGCGTCGCGCTCATCGATACCGCAGATAATACGCAG GTGCTTTATCGCGGTGATGAACGCTTTCCAATGTGCAGTACCAGTAAAGTTATGGCGGCC GCGGCGGTGCTTAAGCAGAGTGAAACGCAAAAGCAGCTGCTTAATCAGCCTGTCGAGATC AAGCCTGCCGATCTGGTTAACTACAATCCGATTGCCGAAAAACACGTCAACGGCACAATG ACGCTGGCAGAGCTGAGCGCGGCCGCGTTGCAGTACAGCGACAATACCGCCATGAACAAA TTGATTGCCCAGCTCGGTGGCCCGGGAGGCGTGACGGCTTTTGCCCGCGCGATCGGCGAT GAGACGTTTCGTCTGGATCGCACTGAACCTACGCTGAATACCGCCATTCCCGGCGACCCG AGAGACACCACCACGCCGCGGGCGATGGCACAGACGTTGCGTCAGCTTACGCTGGGTCAT GCGCTGGGCGAAACCCAGCGGGCGCAGTTGGTGACGTGGCTCAAAGGCAATACGACCGGC GCAGCCAGCATTCGGGCCGGCTTACCGACGTCGTGGACTGCAGGTGATAAGACCGGCAGC GGCGACTACGGCACCACCAATGATATTGCGGTGATCTGGCCGCAGGGTCGTGCGCCGCTG GTTCTGGTGACCTATTTTACCCAGCCGCAACAGAACGCAGAGAGCCGCCGCGATGTGCTG GCTTCAGCGGCGAGAATCATCGCCGAAGGGCTGTAA PF00144 Beta-lactamase function hydrolase activity function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds function hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides function catalytic activity function beta-lactamase activity process metabolism process drug metabolism process cellular metabolism process antibiotic metabolism process antibiotic catabolism process beta-lactam antibiotic catabolism process response to stimulus process response to abiotic stimulus process response to chemical stimulus process response to drug process response to antibiotic process physiological process "

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