70

Source:http://linkedlifedata.com/resource/chembl/compound/70

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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/C21H30N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,23,30)(H2,22,24,25)
chemicalCompound:standardIn...	NJQZMRWOOJIQAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)\C(=N\C4CCCCC4)\S
chemicalCompound:molecularF...	C21 H30 N6 O2 S
chemicalCompound:moleculeId	70
chemicalCompound:mwFreebase	430.567
chemicalCompound:alogp	3.566
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	127.9
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.773
chemicalCompound:acdLogD	1.236
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	430.567
chemicalCompound:acdMostBpk...	14.184
chemicalCompound:chemblId	CHEMBL6208
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100070
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:328494, activity:328495