297210

Source:http://linkedlifedata.com/resource/chembl/compound/297210

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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/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
chemicalCompound:standardIn...	NECDJQNRWSICKG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(CCNc1c2CCCCc2nc3ccccc13)CCNc4c5CCCCc5nc6ccccc46
chemicalCompound:molecularF...	C31H36N4
chemicalCompound:moleculeId	297210
chemicalCompound:mwFreebase	464.644
chemicalCompound:alogp	7.607
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	49.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.814
chemicalCompound:acdLogD	4.291
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	464.644
chemicalCompound:acdMostBpk...	9.394
chemicalCompound:chemblId	CHEMBL179732
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397210
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:1405451, activity:1405452, activity:1405453, activity:1760354, activity:1760364, activity:1760375, activity:1768936, activity:1768955, activity:1769003, activity:2341389, activity:2341390