1025552

Source:http://linkedlifedata.com/resource/chembl/compound/1025552

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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/C16H14N2OS2/c1-9-5-7-10(8-6-9)18-15(19)13-11-3-2-4-12(11)21-14(13)17-16(18)20/h5-8H,2-4H2,1H3,(H,17,20)
chemicalCompound:standardIn...	IGRVXTUFZFTEFT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N2C(=S)Nc3sc4CCCc4c3C2=O
chemicalCompound:molecularF...	C16H14N2OS2
chemicalCompound:moleculeId	1025552
chemicalCompound:mwFreebase	314.425
chemicalCompound:alogp	4.918
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	92.67
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.212
chemicalCompound:acdLogP	3.933
chemicalCompound:acdLogD	3.933
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	314.425
chemicalCompound:chemblId	CHEMBL1601668
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1125552
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:4115991, activity:4169412, activity:4408637, activity:4909197, activity:4991636, activity:5068293, activity:5413982, activity:5569762, activity:5702162, activity:5856418, activity:6527907, activity:6998251, activity:7405252, activity:7487126, activity:8314046, activity:10556166