52100

Source:http://linkedlifedata.com/resource/chembl/compound/52100

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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/C18H15N3O/c1-14(11-21-13-19-12-20-21)18(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,12-13H,1,11H2
chemicalCompound:standardIn...	GUCFRKZROZBQQC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=C(Cn1cncn1)C(=O)c2ccc(cc2)c3ccccc3
chemicalCompound:molecularF...	C18 H15 N3 O
chemicalCompound:moleculeId	52100
chemicalCompound:mwFreebase	289.331
chemicalCompound:alogp	3.295
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	47.78
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.616
chemicalCompound:acdLogD	2.616
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	289.331
chemicalCompound:acdMostBpk...	2.38
chemicalCompound:chemblId	CHEMBL36286
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:152100
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:68277, activity:68278, activity:68279