Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03678"

PredicateValue (sorted: default)
rdfs:label
"(6,7-Difluoro-Quinazolin-4-Yl)-(1-Methyl-2,2-Diphenyl-Ethyl)-Amine"
rdf:type
drugbank:description
" experimental This compound belongs to the diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Diphenylmethanes Organic Compounds Benzenoids Benzene and Substituted Derivatives Diphenylmethanes Quinazolinamines Amphetamines and Derivatives Phenylpropylamines Aminopyrimidines and Derivatives Fluorobenzenes Aryl Fluorides Secondary Amines Polyamines Organofluorides quinazolinamine amphetamine or derivative quinazoline phenylpropylamine aminopyrimidine fluorobenzene pyrimidine aryl fluoride aryl halide polyamine secondary amine organohalogen organofluoride amine organonitrogen compound logP 5.24 ALOGPS logS -6 ALOGPS Water Solubility 3.44e-04 g/l ALOGPS logP 5.71 ChemAxon IUPAC Name N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine ChemAxon Traditional IUPAC Name N-[(2S)-1,1-diphenylpropan-2-yl]-6,7-difluoroquinazolin-4-amine ChemAxon Molecular Weight 375.4139 ChemAxon Monoisotopic Weight 375.154704033 ChemAxon SMILES C[C@H](NC1=NC=NC2=C1C=C(F)C(F)=C2)C(C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon Molecular Formula C23H19F2N3 ChemAxon InChI InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1 ChemAxon InChIKey InChIKey=WVGZKPGUHOZIJQ-HNNXBMFYSA-N ChemAxon Polar Surface Area (PSA) 37.81 ChemAxon Refractivity 108.09 ChemAxon Polarizability 37.5 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 19.07 ChemAxon pKa (strongest basic) 3.71 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon PubChem Compound 5496989 PubChem Substance 46509157 PDB UNN "
owl:sameAs

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