1330759

Source:http://linkedlifedata.com/resource/chembl/compound/1330759

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C28H34N2O4/c1-33-27-11-5-23(6-12-27)3-9-25(31)15-17-29-19-21-30(22-20-29)18-16-26(32)10-4-24-7-13-28(34-2)14-8-24/h3-14H,15-22H2,1-2H3/b9-3+,10-4+
chemicalCompound:standardIn...	UBGZRFOVNGZRIX-LQIBPGRFSA-N
chemicalCompound:canonicalS...	COc1ccc(\C=C\C(=O)CCN2CCN(CCC(=O)\C=C\c3ccc(OC)cc3)CC2)cc1
chemicalCompound:molecularF...	C28H34N2O4
chemicalCompound:moleculeId	1330759
chemicalCompound:mwFreebase	462.581
chemicalCompound:alogp	4.169
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	59.08
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.544
chemicalCompound:acdLogD	3.417
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	462.581
chemicalCompound:acdMostBpk...	6.934
chemicalCompound:chemblId	CHEMBL2009508
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1430759
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No