1288767

Source:http://linkedlifedata.com/resource/chembl/compound/1288767

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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/C21H17N5O3S/c27-18(14-7-3-1-4-8-14)24-21-23-17-16(19(30)25-21)26(13-22-17)11-12-29-20(28)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H2,23,24,25,27,30)
chemicalCompound:standardIn...	LZXNVNAHWSNWGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NC1=Nc2ncn(CCOC(=O)c3ccccc3)c2C(=S)N1)c4ccccc4
chemicalCompound:molecularF...	C21H17N5O3S
chemicalCompound:moleculeId	1288767
chemicalCompound:mwFreebase	419.456
chemicalCompound:alogp	3.6
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	129.7
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.996
chemicalCompound:acdLogP	2.649
chemicalCompound:acdLogD	1.297
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	419.456
chemicalCompound:acdMostBpk...	2.142
chemicalCompound:chemblId	CHEMBL1967476
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1388767
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:8285350, activity:8335245, activity:8369353, activity:8385126, activity:8471118, activity:8540403, activity:8555863, activity:8632430, activity:8692706, activity:8712784, activity:8736907, activity:8841075, activity:8872077, activity:8892726, activity:9006615, activity:9036014, activity:9056172, activity:9132696, activity:9181941, activity:9224379, activity:9256841, activity:9267587, activity:9325523, activity:9399302, activity:9401931, activity:9474252, activity:9485271, activity:9658075, activity:9660527, activity:9736711, activity:9751649, activity:9826112, activity:9856941, activity:9898364, activity:9928460, activity:9961056, activity:10052758, activity:10114272, activity:10115657, activity:10137174, activity:10219224, activity:10252510, activity:10291787, activity:10337944, activity:10408574, activity:10465445, activity:10519352, activity:10533447, activity:10561298, activity:10584831, activity:10637380, activity:10651994, activity:10698363, activity:10739874, activity:10762706, activity:10823531