469623

Source:http://linkedlifedata.com/resource/chembl/compound/469623

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H22F2N4O3S/c1-31(29,30)14-4-2-13(3-5-14)17-11-25-27-18(17)15-6-7-21(22,23)10-16(15)19(28)26-20(12-24)8-9-20/h2-5,11,15-16H,6-10H2,1H3,(H,25,27)(H,26,28)/t15-,16-/m1/s1
chemicalCompound:standardIn...	MUIUCPDRGPTQJY-HZPDHXFCSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)c1ccc(cc1)c2c[nH]nc2[C@@H]3CCC(F)(F)C[C@H]3C(=O)NC4(CC4)C#N
chemicalCompound:molecularF...	C21H22F2N4O3S
chemicalCompound:moleculeId	469623
chemicalCompound:mwFreebase	448.486
chemicalCompound:alogp	2.028
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	124.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.311
chemicalCompound:acdLogP	0.635
chemicalCompound:acdLogD	0.635
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448.486
chemicalCompound:acdMostBpk...	1.911
chemicalCompound:chemblId	CHEMBL492655
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:569623
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2373451, activity:2373456, activity:2373461, activity:2373466, activity:2373471, activity:2373476, activity:2373481