210623

Source:http://linkedlifedata.com/resource/chembl/compound/210623

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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/C15H21N3O2S2/c1-9(2)13(19)18-14-17-7-12(22-14)21-8-11-16-6-10(20-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
chemicalCompound:standardIn...	FETXAWXOSWHGHF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C(=O)Nc1ncc(SCc2oc(cn2)C(C)(C)C)s1
chemicalCompound:molecularF...	C15 H21 N3 O2 S2
chemicalCompound:moleculeId	210623
chemicalCompound:mwFreebase	339.476
chemicalCompound:alogp	3.109
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	121.56
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.384
chemicalCompound:acdLogP	3.271
chemicalCompound:acdLogD	3.267
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	339.476
chemicalCompound:acdMostBpk...	1.676
chemicalCompound:chemblId	CHEMBL126630
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:310623
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:182117, activity:182118, activity:182119, activity:182120