181375

Source:http://linkedlifedata.com/resource/chembl/compound/181375

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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/C18H17NO4S/c19-24(20,21)14-7-4-12(5-8-14)15-2-1-3-16(15)13-6-9-17-18(10-13)23-11-22-17/h4-10H,1-3,11H2,(H2,19,20,21)
chemicalCompound:standardIn...	USMIRTDURJPRPN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NS(=O)(=O)c1ccc(cc1)C2=C(CCC2)c3ccc4OCOc4c3
chemicalCompound:molecularF...	C18 H17 N O4 S
chemicalCompound:moleculeId	181375
chemicalCompound:mwFreebase	343.397
chemicalCompound:alogp	3.266
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	87
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.185
chemicalCompound:acdLogP	3.674
chemicalCompound:acdLogD	3.674
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.397
chemicalCompound:chemblId	CHEMBL424063
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:281375
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:127392, activity:549166, activity:549167, activity:549168