24611

Source:http://linkedlifedata.com/resource/chembl/compound/24611

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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/C22H18N4OS/c1-15-9-10-17(24-21(27)16-6-3-2-4-7-16)14-19(15)26-22-23-12-11-18(25-22)20-8-5-13-28-20/h2-14H,1H3,(H,24,27)(H,23,25,26)
chemicalCompound:standardIn...	RDKRQGLVFPXDTQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NC(=O)c2ccccc2)cc1Nc3nccc(n3)c4cccs4
chemicalCompound:molecularF...	C22 H18 N4 O S
chemicalCompound:moleculeId	24611
chemicalCompound:mwFreebase	386.47
chemicalCompound:alogp	4.656
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	95.15
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.159
chemicalCompound:acdLogP	4.905
chemicalCompound:acdLogD	4.905
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.47
chemicalCompound:acdMostBpk...	3.002
chemicalCompound:chemblId	CHEMBL21078
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124611
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:892573, activity:892574, activity:892575, activity:892576, activity:892577, activity:892578