836622

Source:http://linkedlifedata.com/resource/chembl/compound/836622

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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/C19H12N2O3S/c22-17-15-14(11-4-2-1-3-5-11)10-25-18(15)21-16(20-17)12-6-8-13(9-7-12)19(23)24/h1-10H,(H,23,24)(H,20,21,22)
chemicalCompound:standardIn...	YSLVSHXCUREOBY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(cc1)c2nc(O)c3c(csc3n2)c4ccccc4
chemicalCompound:molecularF...	C19H12N2O3S
chemicalCompound:moleculeId	836622
chemicalCompound:mwFreebase	348.375
chemicalCompound:alogp	4.177
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	111.55
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-0.152
chemicalCompound:acdLogP	4.272
chemicalCompound:acdLogD	0.737
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	348.375
chemicalCompound:acdMostBpk...	8.26
chemicalCompound:chemblId	CHEMBL1412738
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:936622
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:3708462, activity:3791094, activity:5511175, activity:5562317, activity:5773556, activity:5782030, activity:6527239, activity:7095607, activity:7344616, activity:7423695