488974

Source:http://linkedlifedata.com/resource/chembl/compound/488974

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:4920
chemicalCompound:synonym	synonym:488974_Afema_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
chemicalCompound:standardIn...	UKCVAQGKEOJTSR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.N#Cc1ccc(cc1)C2CCCc3cncn23
chemicalCompound:molecularF...	C14H14ClN3
chemicalCompound:moleculeId	488974
chemicalCompound:mwFreebase	223.273
chemicalCompound:alogp	2.271
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	41.61
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.484
chemicalCompound:acdLogD	1.288
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	259.734
chemicalCompound:acdMostBpk...	7.159
chemicalCompound:chemblId	CHEMBL468419
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:588974
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	FADROZOLE HCL
chemicalCompound:activity	activity:1088173, activity:1088174, activity:1088175, activity:1088176, activity:1088177, activity:1088178, activity:1088179, activity:1088180, activity:1088181, activity:1088182, activity:1088183, activity:2567493, activity:2567497, activity:2567501