1068859

Source:http://linkedlifedata.com/resource/chembl/compound/1068859

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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/C27H26N2/c1-3-9-19(10-4-1)27-26(24-13-7-8-14-25(24)28-27)20-17-22-15-16-23(18-20)29(22)21-11-5-2-6-12-21/h1-14,20,22-23,28H,15-18H2
chemicalCompound:standardIn...	IUDRMGZXAUQZQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CC2CC(CC1N2c3ccccc3)c4c([nH]c5ccccc45)c6ccccc6
chemicalCompound:molecularF...	C27H26N2
chemicalCompound:moleculeId	1068859
chemicalCompound:mwFreebase	378.509
chemicalCompound:alogp	6.815
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	19.03
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.452
chemicalCompound:acdLogD	5.451
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	378.509
chemicalCompound:acdMostBpk...	4.34
chemicalCompound:chemblId	CHEMBL1671894
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1168859
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:5218987