184056

Source:http://linkedlifedata.com/resource/chembl/compound/184056

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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/C30H30N4O2S/c1-22-16-27(14-15-30(22)37(35,36)29-6-4-3-5-7-29)33(19-25-12-13-25)21-28-18-32-23(2)34(28)20-26-10-8-24(17-31)9-11-26/h3-11,14-16,18,25H,12-13,19-21H2,1-2H3
chemicalCompound:standardIn...	DYKWNLRBMSFQBA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1S(=O)(=O)c2ccccc2)N(CC3CC3)Cc4cnc(C)n4Cc5ccc(cc5)C#N
chemicalCompound:molecularF...	C30 H30 N4 O2 S
chemicalCompound:moleculeId	184056
chemicalCompound:mwFreebase	510.65
chemicalCompound:alogp	5.879
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	87.37
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.566
chemicalCompound:acdLogD	4.438
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	510.65
chemicalCompound:acdMostBpk...	6.943
chemicalCompound:chemblId	CHEMBL112324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:284056
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:588840, activity:588841