41655

Source:http://linkedlifedata.com/resource/chembl/compound/41655

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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/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
chemicalCompound:standardIn...	HDMHBHNRWDNNCD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(Sc2ccccc2)N(COCCO)C(=O)NC1=O
chemicalCompound:molecularF...	C14H16N2O4S
chemicalCompound:moleculeId	41655
chemicalCompound:mwFreebase	308.353
chemicalCompound:alogp	1.752
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	104.17
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.562
chemicalCompound:acdLogP	1.902
chemicalCompound:acdLogD	1.873
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	308.353
chemicalCompound:chemblId	CHEMBL31871
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:141655
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	HEPT
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:43060
chemicalCompound:activity	activity:38586, activity:275808, activity:367850, activity:367851, activity:367852, activity:411101, activity:411102, activity:411103, activity:411104, activity:411105, activity:411106, activity:411107, activity:472273, activity:472274, activity:472275, activity:609941, activity:609942, activity:609943, activity:618228, activity:715038, activity:764088, activity:764089, activity:764090, activity:764091, activity:764092, activity:764093, activity:764094, activity:801576, activity:801577, activity:801578, activity:801579, activity:801580, activity:867168, activity:867169, activity:877391, activity:877392, activity:877393, activity:880801, activity:884772, activity:884773, activity:884774, activity:884775, activity:884776, activity:884777, activity:884778, activity:884779, activity:910238, activity:910239, activity:914729, activity:914730, activity:914731, activity:945179, activity:945180, activity:945181, activity:945182, activity:945183, activity:945184, activity:945185, activity:970223, activity:1120865, activity:1120866, activity:1120867, activity:1120868, activity:1120869, activity:1293324