297001

Source:http://linkedlifedata.com/resource/chembl/compound/297001

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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/C34H43N5/c1-2-39(23-11-21-35-33-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)33)24-12-22-36-34-27-15-5-9-19-31(27)38-32-20-10-6-16-28(32)34/h3,5,7,9,13,15,17,19H,2,4,6,8,10-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)
chemicalCompound:standardIn...	JFRYPNLJVPMTIS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
chemicalCompound:molecularF...	C34 H43 N5
chemicalCompound:moleculeId	297001
chemicalCompound:mwFreebase	521.739
chemicalCompound:alogp	7.121
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	53.08
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.642
chemicalCompound:acdLogD	2.703
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	521.739
chemicalCompound:acdMostBpk...	9.35
chemicalCompound:chemblId	CHEMBL262565
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397001
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:1405586, activity:1405587, activity:1405588, activity:1405589