223886

Source:http://linkedlifedata.com/resource/chembl/compound/223886

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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/C23H21N3O4S/c27-15-18(12-17-13-24-21-10-4-3-8-19(17)21)26-23(28)14-25-31(29,30)22-11-5-7-16-6-1-2-9-20(16)22/h1-11,13,15,18,24-25H,12,14H2,(H,26,28)/t18-/m1/s1
chemicalCompound:standardIn...	OUJSKEQQBPYQMY-GOSISDBHSA-N
chemicalCompound:canonicalS...	O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNS(=O)(=O)c3cccc4ccccc34
chemicalCompound:molecularF...	C23 H21 N3 O4 S
chemicalCompound:moleculeId	223886
chemicalCompound:mwFreebase	435.496
chemicalCompound:alogp	2.546
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	116.51
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.093
chemicalCompound:acdLogP	2.542
chemicalCompound:acdLogD	2.516
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.496
chemicalCompound:chemblId	CHEMBL336748
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:323886
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:329842, activity:329843, activity:329844