275794

Source:http://linkedlifedata.com/resource/chembl/compound/275794

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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/C24H30N2O2/c1-5-8-21-22(18-11-13-20(28-4)14-12-18)17-19-9-6-7-10-23(19)26(24(21)27)16-15-25(2)3/h5-7,9-14,21-22H,1,8,15-17H2,2-4H3/t21-,22+/m1/s1
chemicalCompound:standardIn...	ZKDCTJVGBODVRR-YADHBBJMSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3ccccc3N(CCN(C)C)C(=O)[C@@H]2CC=C
chemicalCompound:molecularF...	C24 H30 N2 O2
chemicalCompound:moleculeId	275794
chemicalCompound:mwFreebase	378.507
chemicalCompound:alogp	4.328
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.316
chemicalCompound:acdLogD	3.935
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	378.507
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL163740
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:375794
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:657470, activity:657471, activity:657472, activity:657473, activity:657474, activity:657475