224969

Source:http://linkedlifedata.com/resource/chembl/compound/224969

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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/C24H23N3O4S/c1-16(27-32(30,31)23-12-6-8-17-7-2-3-10-21(17)23)24(29)26-19(15-28)13-18-14-25-22-11-5-4-9-20(18)22/h2-12,14-16,19,25,27H,13H2,1H3,(H,26,29)/t16-,19+/m0/s1
chemicalCompound:standardIn...	UNLVZLHANKRKSG-QFBILLFUSA-N
chemicalCompound:canonicalS...	C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C=O
chemicalCompound:molecularF...	C24 H23 N3 O4 S
chemicalCompound:moleculeId	224969
chemicalCompound:mwFreebase	449.522
chemicalCompound:alogp	3.03
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	116.51
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.282
chemicalCompound:acdLogP	2.896
chemicalCompound:acdLogD	2.882
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.522
chemicalCompound:chemblId	CHEMBL342189
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324969
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:309580, activity:309581, activity:309582