844315

Source:http://linkedlifedata.com/resource/chembl/compound/844315

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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/C15H18N2O4S/c1-11-6-8-16(9-7-11)14(18)10-17-15(19)12-4-2-3-5-13(12)22(17,20)21/h2-5,11H,6-10H2,1H3
chemicalCompound:standardIn...	BPGWVFBMUQKGNV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CCN(CC1)C(=O)CN2C(=O)c3ccccc3S2(=O)=O
chemicalCompound:molecularF...	C15H18N2O4S
chemicalCompound:moleculeId	844315
chemicalCompound:mwFreebase	322.379
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	83.13
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.286
chemicalCompound:acdLogD	1.286
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	322.379
chemicalCompound:chemblId	CHEMBL1420431
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:944315
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:3853283, activity:3987449, activity:4708061, activity:5453649, activity:5679138, activity:5920122, activity:7160096, activity:7323989, activity:7517156