224833

Source:http://linkedlifedata.com/resource/chembl/compound/224833

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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/C24H25N3O3S/c1-31-13-11-22(24(29)30)27-23(28)20-10-9-17(15-26-19-8-5-12-25-16-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14,16,22,26H,11,13,15H2,1H3,(H,27,28)(H,29,30)/t22-/m1/s1
chemicalCompound:standardIn...	JTCMVYSMLZJQND-JOCHJYFZSA-N
chemicalCompound:canonicalS...	CSCC[C@@H](NC(=O)c1ccc(CNc2cccnc2)cc1c3ccccc3)C(=O)O
chemicalCompound:molecularF...	C24 H25 N3 O3 S
chemicalCompound:moleculeId	224833
chemicalCompound:mwFreebase	435.539
chemicalCompound:alogp	3.091
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	116.62
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.58
chemicalCompound:acdLogP	2.101
chemicalCompound:acdLogD	-1.35
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	435.539
chemicalCompound:acdMostBpk...	5.725
chemicalCompound:chemblId	CHEMBL135559
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324833
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:196076, activity:196077