476

Source:http://linkedlifedata.com/resource/chembl/compound/476

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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/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)
chemicalCompound:standardIn...	MLJGSVQFLSTLQF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1nc(Br)cnc1NS(=O)(=O)c2cccc3c(cccc23)N(C)C
chemicalCompound:molecularF...	C18 H19 Br N4 O3 S
chemicalCompound:moleculeId	476
chemicalCompound:mwFreebase	451.337
chemicalCompound:alogp	3.48
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	92.8
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.711
chemicalCompound:acdLogP	4.96
chemicalCompound:acdLogD	4.232
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	451.337
chemicalCompound:acdMostBpk...	3.197
chemicalCompound:chemblId	CHEMBL6588
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100476
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:464080, activity:464081