499318

Source:http://linkedlifedata.com/resource/chembl/compound/499318

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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/C15H20BrN3O3/c16-13-7-5-4-6-12(13)10-11-17-18-14(20)8-2-1-3-9-15(21)19-22/h4-7,10-11,17,22H,1-3,8-9H2,(H,18,20)(H,19,21)/b11-10+
chemicalCompound:standardIn...	NAHBVLURQCSLAK-ZHACJKMWSA-N
chemicalCompound:canonicalS...	ONC(=O)CCCCCC(=O)NN\C=C\c1ccccc1Br
chemicalCompound:molecularF...	C15H20BrN3O3
chemicalCompound:moleculeId	499318
chemicalCompound:mwFreebase	370.242
chemicalCompound:alogp	1.747
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	90.46
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.465
chemicalCompound:acdLogP	2.849
chemicalCompound:acdLogD	2.845
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.242
chemicalCompound:acdMostBpk...	1.919
chemicalCompound:chemblId	CHEMBL491254
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:599318
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:2401922, activity:2401923, activity:2401924, activity:2401958