918609

Source:http://linkedlifedata.com/resource/chembl/compound/918609

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1045580
chemicalCompound:standardIn...	InChI=1S/C16H20N4O3S.BrH/c1-16(2)6-9(17-5-4-11(21)22)13-10(7-16)20-12-14(23-3)18-8-19-15(12)24-13;/h8,17H,4-7H2,1-3H3,(H,21,22);1H
chemicalCompound:standardIn...	FNUXFOGPULIBJR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.COc1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCC(=O)O
chemicalCompound:molecularF...	C16H21BrN4O3S
chemicalCompound:moleculeId	918609
chemicalCompound:mwFreebase	348.42
chemicalCompound:alogp	1.691
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	122
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.517
chemicalCompound:acdLogP	2.341
chemicalCompound:acdLogD	-0.385
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	429.332
chemicalCompound:acdMostBpk...	1.408
chemicalCompound:chemblId	CHEMBL1494725
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1018609
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:3614260, activity:3693284, activity:3794503, activity:4089568, activity:4156394, activity:4291162, activity:4340688, activity:4356873, activity:4387676, activity:4578690, activity:4611512, activity:4758808, activity:4832153, activity:4933843, activity:4938294, activity:5021918, activity:5503025, activity:5724960, activity:5813673, activity:6545404, activity:6650099, activity:6719444, activity:6728121, activity:7184939, activity:7244128, activity:7432929