224572

Source:http://linkedlifedata.com/resource/chembl/compound/224572

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H24N2O3S2/c1-30-13-11-22(24(28)29)26-23(27)20-10-9-17(16-31-19-8-5-12-25-15-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14-15,22H,11,13,16H2,1H3,(H,26,27)(H,28,29)/t22-/m0/s1
chemicalCompound:standardIn...	MAEKAQMLARCSLM-QFIPXVFZSA-N
chemicalCompound:canonicalS...	CSCC[C@H](NC(=O)c1ccc(CSc2cccnc2)cc1c3ccccc3)C(=O)O
chemicalCompound:molecularF...	C24 H24 N2 O3 S2
chemicalCompound:moleculeId	224572
chemicalCompound:mwFreebase	452.589
chemicalCompound:alogp	3.824
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	129.89
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.543
chemicalCompound:acdLogP	3.849
chemicalCompound:acdLogD	0.32
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	452.589
chemicalCompound:acdMostBpk...	3.803
chemicalCompound:chemblId	CHEMBL132588
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324572
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:219927, activity:219928