1006105

Source:http://linkedlifedata.com/resource/chembl/compound/1006105

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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/C15H19N3O3S2/c1-15(2,3)13-17-18-14(22-13)16-12(19)9-10-23(20,21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)
chemicalCompound:standardIn...	RMMQDTPJLKPVGD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
chemicalCompound:molecularF...	C15H19N3O3S2
chemicalCompound:moleculeId	1006105
chemicalCompound:mwFreebase	353.46
chemicalCompound:alogp	2.521
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	125.63
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.15
chemicalCompound:acdLogP	2.773
chemicalCompound:acdLogD	2.767
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.46
chemicalCompound:acdMostBpk...	0.814
chemicalCompound:chemblId	CHEMBL1582221
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1106105
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:4256494, activity:4324073, activity:5658799, activity:5698654, activity:6430672, activity:6747125, activity:6775318, activity:7279829, activity:7370087, activity:7553447, activity:7555899