155626

Source:http://linkedlifedata.com/resource/chembl/compound/155626

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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/C25H23N3O3S/c1-2-21(18-10-4-3-5-11-18)27-25(29)20-14-6-7-15-22(20)28-32(30,31)23-16-8-12-19-13-9-17-26-24(19)23/h3-17,21,28H,2H2,1H3,(H,27,29)/t21-/m0/s1
chemicalCompound:standardIn...	KHXUQLMOPQHGCN-NRFANRHFSA-N
chemicalCompound:canonicalS...	CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c2cccc3cccnc23)c4ccccc4
chemicalCompound:molecularF...	C25 H23 N3 O3 S
chemicalCompound:moleculeId	155626
chemicalCompound:mwFreebase	445.533
chemicalCompound:alogp	4.196
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	96.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.276
chemicalCompound:acdLogP	3.95
chemicalCompound:acdLogD	3.525
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	445.533
chemicalCompound:acdMostBpk...	2.002
chemicalCompound:chemblId	CHEMBL273418
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:255626
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:324701