1021634

Source:http://linkedlifedata.com/resource/chembl/compound/1021634

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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/C17H19N5/c1-12-5-4-8-14(9-12)22-17-15(10-20-22)16(18-11-19-17)21-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,18,19,21)
chemicalCompound:standardIn...	PXWHLXVJZSXSIW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(c1)n2ncc3c(NC4CCCC4)ncnc23
chemicalCompound:molecularF...	C17H19N5
chemicalCompound:moleculeId	1021634
chemicalCompound:mwFreebase	293.366
chemicalCompound:alogp	3.44
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.633
chemicalCompound:acdLogD	3.632
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	293.366
chemicalCompound:acdMostBpk...	3.823
chemicalCompound:chemblId	CHEMBL1597750
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1121634
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:3610498, activity:3646886, activity:3813920, activity:4663014, activity:4822590, activity:4858232, activity:4923002, activity:5610675, activity:7246265, activity:7398460