124103

Source:http://linkedlifedata.com/resource/chembl/compound/124103

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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/C16H21N3S/c1-12(18-16-8-5-9-19(16)2)11-20-15-10-17-14-7-4-3-6-13(14)15/h3-4,6-7,10,12,17H,5,8-9,11H2,1-2H3/b18-16+
chemicalCompound:standardIn...	KGOAMGRGYVQMOW-FBMGVBCBSA-N
chemicalCompound:canonicalS...	CC(CSc1c[nH]c2ccccc12)\N=C\3/CCCN3C
chemicalCompound:molecularF...	C16 H21 N3 S
chemicalCompound:moleculeId	124103
chemicalCompound:mwFreebase	287.423
chemicalCompound:alogp	2.957
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	56.69
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.897
chemicalCompound:acdLogD	1.899
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	287.423
chemicalCompound:acdMostBpk...	11.871
chemicalCompound:chemblId	CHEMBL80927
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224103
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:121430, activity:121431, activity:121432, activity:121433, activity:121434, activity:121435