100013

Source:http://linkedlifedata.com/resource/chembl/compound/100013

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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/C15H12N2O2S/c18-15(19)12-3-1-2-11(6-12)7-17-8-14(16-10-17)13-4-5-20-9-13/h1-6,8-10H,7H2,(H,18,19)
chemicalCompound:standardIn...	APQUMFPQSGGSDH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1cccc(Cn2cnc(c2)c3ccsc3)c1
chemicalCompound:molecularF...	C15 H12 N2 O2 S
chemicalCompound:moleculeId	100013
chemicalCompound:mwFreebase	284.333
chemicalCompound:alogp	2.745
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	83.36
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.099
chemicalCompound:acdLogP	2.719
chemicalCompound:acdLogD	-0.122
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	284.333
chemicalCompound:acdMostBpk...	6.094
chemicalCompound:chemblId	CHEMBL435958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200013
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:1232180, activity:1232181