1018972

Source:http://linkedlifedata.com/resource/chembl/compound/1018972

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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/C24H23N5O2/c1-4-15(2)29-14-25-22-20(24(29)30)21-23(27-19-8-6-5-7-18(19)26-21)28(22)13-16-9-11-17(31-3)12-10-16/h5-12,14-15H,4,13H2,1-3H3
chemicalCompound:standardIn...	BRIVLQZOUPGFGF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)N1C=Nc2c(C1=O)c3nc4ccccc4nc3n2Cc5ccc(OC)cc5
chemicalCompound:molecularF...	C24H23N5O2
chemicalCompound:moleculeId	1018972
chemicalCompound:mwFreebase	413.472
chemicalCompound:alogp	4.489
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	72.61
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.212
chemicalCompound:acdLogD	5.212
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	413.472
chemicalCompound:acdMostBpk...	2.765
chemicalCompound:chemblId	CHEMBL1595088
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118972
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:3623719, activity:3715527, activity:3984438, activity:4031735, activity:4120561, activity:4337095, activity:4433255, activity:4456226, activity:4777891, activity:4779862, activity:4928482, activity:5330987, activity:5460923, activity:5594713, activity:5777772, activity:5859086, activity:5906527, activity:6428922, activity:6583454, activity:6773150, activity:6895102, activity:7001169, activity:7056032, activity:7178151, activity:7284054, activity:7315567