671046

Source:http://linkedlifedata.com/resource/chembl/compound/671046

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C14H19N5OS/c1-3-20-9-8-16-13(15)17-14-19-18-12(21-14)11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H3,15,16,17,19)
chemicalCompound:standardIn...	KGRPBZKANYQPPZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCC\N=C(\N)/Nc1nnc(s1)c2ccccc2C
chemicalCompound:molecularF...	C14H19N5OS
chemicalCompound:moleculeId	671046
chemicalCompound:mwFreebase	305.399
chemicalCompound:alogp	2.104
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.66
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.738
chemicalCompound:acdLogD	3.716
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.399
chemicalCompound:acdMostBpk...	6.519
chemicalCompound:chemblId	CHEMBL1197096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:771046
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No