400276

Source:http://linkedlifedata.com/resource/chembl/compound/400276

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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/C15H15N3/c16-15(17)18-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7H,8-9H2,(H4,16,17,18)
chemicalCompound:standardIn...	HUJHBMIGNWCMJC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)NCc1ccc2c(Cc3ccccc23)c1
chemicalCompound:molecularF...	C15 H15 N3
chemicalCompound:moleculeId	400276
chemicalCompound:mwFreebase	237.3
chemicalCompound:alogp	2.464
chemicalCompound:hba	1
chemicalCompound:hbd	3
chemicalCompound:psa	61.9
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.997
chemicalCompound:acdLogD	0.997
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	237.3
chemicalCompound:acdMostBpk...	12.358
chemicalCompound:chemblId	CHEMBL236012
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:500276
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:2009666, activity:2009684, activity:2009696, activity:2009704, activity:2009706, activity:2009708, activity:2009751, activity:2009768, activity:2009785