33976

Source:http://linkedlifedata.com/resource/chembl/compound/33976

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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/C17H19ClN10/c1-2-3-4-15-19-16(18)13(9-14-20-24-25-21-14)28(15)10-11-5-7-12(8-6-11)17-22-26-27-23-17/h5-8H,2-4,9-10H2,1H3,(H,20,21,24,25)(H,22,23,26,27)
chemicalCompound:standardIn...	LHVLUYMOMISGJJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(Cc2nn[nH]n2)n1Cc3ccc(cc3)c4nn[nH]n4
chemicalCompound:molecularF...	C17 H19 Cl N10
chemicalCompound:moleculeId	33976
chemicalCompound:mwFreebase	398.853
chemicalCompound:alogp	3.485
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	126.74
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.342
chemicalCompound:acdLogP	1.594
chemicalCompound:acdLogD	-1.397
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	398.853
chemicalCompound:acdMostBpk...	3.889
chemicalCompound:chemblId	CHEMBL282283
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133976
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:644447, activity:644448