291743

Source:http://linkedlifedata.com/resource/chembl/compound/291743

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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/C28H24N2O3S/c31-25-18-20(28(33)30-16-7-6-12-26-24(30)15-17-34-26)13-14-23(25)29-27(32)22-11-5-4-10-21(22)19-8-2-1-3-9-19/h1-5,8-11,13-15,17-18,31H,6-7,12,16H2,(H,29,32)
chemicalCompound:standardIn...	VEPHBJSUUHDIPP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1cc(ccc1NC(=O)c2ccccc2c3ccccc3)C(=O)N4CCCCc5sccc45
chemicalCompound:molecularF...	C28 H24 N2 O3 S
chemicalCompound:moleculeId	291743
chemicalCompound:mwFreebase	468.567
chemicalCompound:alogp	5.4
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	97.88
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.521
chemicalCompound:acdLogP	5.719
chemicalCompound:acdLogD	5.707
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.567
chemicalCompound:chemblId	CHEMBL369150
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:391743
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:862364, activity:862365, activity:862366, activity:862367, activity:862368, activity:862369