901521

Source:http://linkedlifedata.com/resource/chembl/compound/901521

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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/C18H19N3O3S/c1-2-12-20(13-14-8-4-3-5-9-14)18(25)19-17(22)15-10-6-7-11-16(15)21(23)24/h3-11H,2,12-13H2,1H3,(H,19,22,25)
chemicalCompound:standardIn...	QCRXBHUJRBXLDP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN(Cc1ccccc1)C(=S)NC(=O)c2ccccc2[N+](=O)[O-]
chemicalCompound:molecularF...	C18H19N3O3S
chemicalCompound:moleculeId	901521
chemicalCompound:mwFreebase	357.427
chemicalCompound:alogp	4.798
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	110.25
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.818
chemicalCompound:acdLogP	3.915
chemicalCompound:acdLogD	3.835
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.427
chemicalCompound:acdMostBpk...	0.657
chemicalCompound:chemblId	CHEMBL1477637
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1001521
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:3621607, activity:4070008, activity:4299717, activity:4789740, activity:5697843, activity:5812496, activity:5893055, activity:6771668, activity:7279805