568964

Source:http://linkedlifedata.com/resource/chembl/compound/568964

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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/C26H34N4/c1-2-10-21(11-3-1)28-29-25-16-15-24(22-12-4-5-13-23(22)25)27-19-20-9-8-18-30-17-7-6-14-26(20)30/h1-3,10-11,15-16,20,26-27H,4-9,12-14,17-19H2/b29-28+/t20-,26+/m0/s1
chemicalCompound:standardIn...	UOPPFMKJKGBCJL-UENCTGHTSA-N
chemicalCompound:canonicalS...	C(Nc1ccc(N=Nc2ccccc2)c3CCCCc13)[C@@H]4CCCN5CCCC[C@H]45
chemicalCompound:molecularF...	C26H34N4
chemicalCompound:moleculeId	568964
chemicalCompound:mwFreebase	402.575
chemicalCompound:alogp	7.161
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	39.99
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.966
chemicalCompound:acdLogD	3.345
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	402.575
chemicalCompound:acdMostBpk...	10.264
chemicalCompound:chemblId	CHEMBL574322
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668964
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:2913540, activity:2913598, activity:2913656, activity:2913714, activity:2913772, activity:2914202, activity:2914260, activity:2914293, activity:2914351, activity:2914409, activity:2914423, activity:2914435, activity:2914447, activity:2914462