219464

Source:http://linkedlifedata.com/resource/chembl/compound/219464

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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/C19H15N5O2/c1-3-12-6-7-14-13(9-12)19(25)23-8-4-5-15(23)17-16(20-10-24(14)17)18-21-11(2)22-26-18/h1,6-7,9-10,15H,4-5,8H2,2H3/t15-/m0/s1
chemicalCompound:standardIn...	KICQPTHJQWBQOI-HNNXBMFYSA-N
chemicalCompound:canonicalS...	Cc1noc(n1)c2ncn3c2[C@@H]4CCCN4C(=O)c5cc(ccc35)C#C
chemicalCompound:molecularF...	C19 H15 N5 O2
chemicalCompound:moleculeId	219464
chemicalCompound:mwFreebase	345.355
chemicalCompound:alogp	2.548
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	77.05
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.16
chemicalCompound:acdLogD	3.16
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	345.355
chemicalCompound:acdMostBpk...	0.324
chemicalCompound:chemblId	CHEMBL336636
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:319464
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:64161, activity:64162, activity:64163, activity:64164, activity:64165, activity:64166, activity:595623, activity:595624, activity:595625, activity:595626, activity:595627, activity:595628