11851

Source:http://linkedlifedata.com/resource/chembl/compound/11851

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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/C33H52N2O2/c1-24(2)23-33(29-11-15-31(16-12-29)36-21-19-34(25(3)4)26(5)6)30-13-17-32(18-14-30)37-22-20-35(27(7)8)28(9)10/h11-18,23-28H,19-22H2,1-10H3
chemicalCompound:standardIn...	JZRULYGGBGXJAM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C=C(c1ccc(OCCN(C(C)C)C(C)C)cc1)c2ccc(OCCN(C(C)C)C(C)C)cc2
chemicalCompound:molecularF...	C33 H52 N2 O2
chemicalCompound:moleculeId	11851
chemicalCompound:mwFreebase	508.778
chemicalCompound:alogp	8.12
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	24.94
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.56
chemicalCompound:acdLogD	3.547
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	508.778
chemicalCompound:acdMostBpk...	10.154
chemicalCompound:chemblId	CHEMBL13163
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111851
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:669103, activity:669104, activity:669105, activity:669106, activity:669107, activity:669108