1019800

Source:http://linkedlifedata.com/resource/chembl/compound/1019800

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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/C20H22N2O3S/c1-3-25-20(24)17-12-18-16(11-14(2)26-18)22(17)13-19(23)21-10-9-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,21,23)
chemicalCompound:standardIn...	LHIUGLBENAPLCU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCCc3ccccc3
chemicalCompound:molecularF...	C20H22N2O3S
chemicalCompound:moleculeId	1019800
chemicalCompound:mwFreebase	370.465
chemicalCompound:alogp	3.888
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	88.57
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.192
chemicalCompound:acdLogP	5.456
chemicalCompound:acdLogD	5.456
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.465
chemicalCompound:chemblId	CHEMBL1595916
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1119800
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:3924981, activity:4145599, activity:4327436, activity:4405305, activity:4620483, activity:4742829, activity:4820893, activity:5472711, activity:5622108, activity:5680283, activity:5845038, activity:6488691, activity:7324295