416351

Source:http://linkedlifedata.com/resource/chembl/compound/416351

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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/C15H19N3O5S/c16-8-2-1-3-9-12(8)17-7-18(9)15-14(22)13(21)10(23-15)6-24-5-4-11(19)20/h1-3,7,10,13-15,21-22H,4-6,16H2,(H,19,20)/t10-,13-,14-,15-/m1/s1
chemicalCompound:standardIn...	HFSHDLUNYAZEMK-JUDXGUMMSA-N
chemicalCompound:canonicalS...	Nc1cccc2c1ncn2[C@@H]3O[C@H](CSCCC(=O)O)[C@@H](O)[C@H]3O
chemicalCompound:molecularF...	C15 H19 N3 O5 S
chemicalCompound:moleculeId	416351
chemicalCompound:mwFreebase	353.393
chemicalCompound:alogp	0.043
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	156.13
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.339
chemicalCompound:acdLogP	-0.065
chemicalCompound:acdLogD	-3.05
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	353.393
chemicalCompound:acdMostBpk...	4.297
chemicalCompound:chemblId	CHEMBL250656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:516351
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:2049186, activity:2049193, activity:2049203, activity:2049211, activity:2049218, activity:2049225, activity:2049235, activity:2096350, activity:2096351, activity:2096352, activity:2096354