31445

Source:http://linkedlifedata.com/resource/chembl/compound/31445

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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/C21H17NOS2/c23-25(17-11-5-2-6-12-17)15-20-21(24-16-9-3-1-4-10-16)18-13-7-8-14-19(18)22-20/h1-14,22H,15H2
chemicalCompound:standardIn...	WEJMICDBYIOXOH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][S+](Cc1[nH]c2ccccc2c1Sc3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C21H17NOS2
chemicalCompound:moleculeId	31445
chemicalCompound:mwFreebase	363.496
chemicalCompound:alogp	5.651
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	77.37
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-6.276
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	363.496
chemicalCompound:chemblId	CHEMBL280551
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:131445
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:525415, activity:525416, activity:525417, activity:525418