867098

Source:http://linkedlifedata.com/resource/chembl/compound/867098

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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/C29H34N6O2/c1-22-31-34(29(37)27-20-26(32-35(22)27)25-11-6-3-7-12-25)21-28(36)30-15-8-16-33-17-13-24(14-18-33)19-23-9-4-2-5-10-23/h2-7,9-12,20,24H,8,13-19,21H2,1H3,(H,30,36)
chemicalCompound:standardIn...	ZDRRLKRLSHZVEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=NN(CC(=O)NCCCN2CCC(Cc3ccccc3)CC2)C(=O)c4cc(nn14)c5ccccc5
chemicalCompound:molecularF...	C29H34N6O2
chemicalCompound:moleculeId	867098
chemicalCompound:mwFreebase	498.619
chemicalCompound:alogp	3.89
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	82.83
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.837
chemicalCompound:acdLogD	2.913
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	498.619
chemicalCompound:acdMostBpk...	9.402
chemicalCompound:chemblId	CHEMBL1443214
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:967098
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:4257440, activity:4304188, activity:5412971, activity:5498303, activity:5865145, activity:6578595, activity:7177384