156651

Source:http://linkedlifedata.com/resource/chembl/compound/156651

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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/C27H25N3O3S/c1-21-13-15-24(16-14-21)34(32,33)29-26-12-6-5-11-25(26)27(31)30(19-22-8-3-2-4-9-22)20-23-10-7-17-28-18-23/h2-18,29H,19-20H2,1H3
chemicalCompound:standardIn...	NINLOKYHGZUFHX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)N(Cc3ccccc3)Cc4cccnc4
chemicalCompound:molecularF...	C27 H25 N3 O3 S
chemicalCompound:moleculeId	156651
chemicalCompound:mwFreebase	471.571
chemicalCompound:alogp	4.234
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	87.75
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.051
chemicalCompound:acdLogP	3.386
chemicalCompound:acdLogD	3.292
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	471.571
chemicalCompound:acdMostBpk...	4.727
chemicalCompound:chemblId	CHEMBL316302
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256651
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:342771, activity:342772