156694

Source:http://linkedlifedata.com/resource/chembl/compound/156694

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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/C26H26N4O3S/c1-20-12-14-22(15-13-20)34(32,33)28-24-11-7-6-10-23(24)26(31)30(18-21-8-4-3-5-9-21)19-25-27-16-17-29(25)2/h3-17,28H,18-19H2,1-2H3
chemicalCompound:standardIn...	XHPWQMCZEGXZNX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)N(Cc3ccccc3)Cc4nccn4C
chemicalCompound:molecularF...	C26 H26 N4 O3 S
chemicalCompound:moleculeId	156694
chemicalCompound:mwFreebase	474.575
chemicalCompound:alogp	3.671
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	92.68
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.056
chemicalCompound:acdLogP	3.718
chemicalCompound:acdLogD	3.57
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.575
chemicalCompound:acdMostBpk...	6.916
chemicalCompound:chemblId	CHEMBL95368
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256694
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:309646