785

Source:http://linkedlifedata.com/resource/chembl/compound/785

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C13H16N4O/c1-18-11-4-2-3-10-13(11)15-9-12(16-10)17-7-5-14-6-8-17/h2-4,9,14H,5-8H2,1H3
chemicalCompound:standardIn...	MWGKSPVQRPREIR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc2nc(cnc12)N3CCNCC3
chemicalCompound:molecularF...	C13H16N4O
chemicalCompound:moleculeId	785
chemicalCompound:mwFreebase	244.292
chemicalCompound:alogp	1.4
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	50.28
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.924
chemicalCompound:acdLogD	0.013
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	244.292
chemicalCompound:acdMostBpk...	8.286
chemicalCompound:chemblId	CHEMBL441329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100785
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No