925438

Source:http://linkedlifedata.com/resource/chembl/compound/925438

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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/C15H18N2O3S/c18-14(17-15-16-7-9-21-15)11-3-5-12(6-4-11)20-10-13-2-1-8-19-13/h3-6,13H,1-2,7-10H2,(H,16,17,18)
chemicalCompound:standardIn...	RGRHWRNLWGOCRF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NC1=NCCS1)c2ccc(OCC3CCCO3)cc2
chemicalCompound:molecularF...	C15H18N2O3S
chemicalCompound:moleculeId	925438
chemicalCompound:mwFreebase	306.38
chemicalCompound:alogp	2.445
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	85.22
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.719
chemicalCompound:acdLogP	2.139
chemicalCompound:acdLogD	2.138
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	306.38
chemicalCompound:acdMostBpk...	4.73
chemicalCompound:chemblId	CHEMBL1501554
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1025438
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:3764186, activity:3813203, activity:3854814, activity:3868650, activity:3957883, activity:4100439, activity:4712490, activity:4802751, activity:4857990, activity:4882513, activity:4911050, activity:5448553, activity:5555939, activity:5674924, activity:5911852, activity:7115631, activity:7354712, activity:7413237, activity:7448249