332143

Source:http://linkedlifedata.com/resource/chembl/compound/332143

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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/C18H17N3O5S/c22-17-15-9-14(5-6-16(15)20-18(17)23)27(24,25)21-8-2-3-12(21)11-26-13-4-1-7-19-10-13/h1,4-7,9-10,12H,2-3,8,11H2,(H,20,22,23)/t12-/m0/s1
chemicalCompound:standardIn...	ZQDAIIUFJKGWON-LBPRGKRZSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3COc4cccnc4
chemicalCompound:molecularF...	C18 H17 N3 O5 S
chemicalCompound:moleculeId	332143
chemicalCompound:mwFreebase	387.41
chemicalCompound:alogp	0.758
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	114.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.646
chemicalCompound:acdLogP	1.955
chemicalCompound:acdLogD	1.93
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.41
chemicalCompound:acdMostBpk...	4.672
chemicalCompound:chemblId	CHEMBL197535
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432143
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:1654047, activity:1656566, activity:1656593, activity:1656620, activity:1656647, activity:6150993