984491

Source:http://linkedlifedata.com/resource/chembl/compound/984491

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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/C13H15NOS2/c15-12(11-6-2-1-3-7-11)10-17-13(16)14-8-4-5-9-14/h1-3,6-7H,4-5,8-10H2
chemicalCompound:standardIn...	HAJRIONYMDQAKD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSC(=S)N1CCCC1)c2ccccc2
chemicalCompound:molecularF...	C13H15NOS2
chemicalCompound:moleculeId	984491
chemicalCompound:mwFreebase	265.394
chemicalCompound:alogp	3.921
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	77.7
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.276
chemicalCompound:acdLogD	2.276
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	265.394
chemicalCompound:acdMostBpk...	0.819
chemicalCompound:chemblId	CHEMBL1560607
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1084491
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:3792438, activity:3816750, activity:3846189, activity:4088020, activity:4475570, activity:4708732, activity:4811027, activity:4891386, activity:5424064, activity:5551047, activity:5564436, activity:5589811, activity:5650252, activity:5890111, activity:6626790, activity:7030196, activity:7180767, activity:7414503