224462

Source:http://linkedlifedata.com/resource/chembl/compound/224462

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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/C26H28N2O4S/c1-3-19-7-4-5-9-21(19)23-15-18(17-32-20-8-6-13-27-16-20)10-11-22(23)25(29)28-24(26(30)31)12-14-33-2/h4-11,13,15-16,24H,3,12,14,17H2,1-2H3,(H,28,29)(H,30,31)/t24-/m0/s1
chemicalCompound:standardIn...	QNAFAZZAFRTFMZ-DEOSSOPVSA-N
chemicalCompound:canonicalS...	CCc1ccccc1c2cc(COc3cccnc3)ccc2C(=O)N[C@@H](CCSC)C(=O)O
chemicalCompound:molecularF...	C26 H28 N2 O4 S
chemicalCompound:moleculeId	224462
chemicalCompound:mwFreebase	464.577
chemicalCompound:alogp	4.208
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.82
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.524
chemicalCompound:acdLogP	4.212
chemicalCompound:acdLogD	0.684
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	464.577
chemicalCompound:acdMostBpk...	4.53
chemicalCompound:chemblId	CHEMBL134396
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324462
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:218684, activity:218685