294769

Source:http://linkedlifedata.com/resource/chembl/compound/294769

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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/C34H29N3O2S/c38-32(30-15-8-7-14-29(30)26-12-5-2-6-13-26)35-28-18-16-27(17-19-28)33(39)37-22-9-21-36(34-31(37)20-23-40-34)24-25-10-3-1-4-11-25/h1-8,10-20,23H,9,21-22,24H2,(H,35,38)
chemicalCompound:standardIn...	GBSJGFNEBBZCKT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1ccc(cc1)C(=O)N2CCCN(Cc3ccccc3)c4sccc24)c5ccccc5c6ccccc6
chemicalCompound:molecularF...	C34 H29 N3 O2 S
chemicalCompound:moleculeId	294769
chemicalCompound:mwFreebase	543.678
chemicalCompound:alogp	6.536
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	80.89
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.848
chemicalCompound:acdLogP	6.327
chemicalCompound:acdLogD	6.326
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	543.678
chemicalCompound:acdMostBpk...	4.964
chemicalCompound:chemblId	CHEMBL366790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394769
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:853208, activity:853209, activity:853210, activity:853211, activity:853212, activity:853213