154536

Source:http://linkedlifedata.com/resource/chembl/compound/154536

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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/C22H28N2O2/c1-16-20(17-9-11-19(26-4)12-10-17)15-18-7-5-6-8-21(18)24(22(16)25)14-13-23(2)3/h5-12,16,20H,13-15H2,1-4H3/t16-,20-/m1/s1
chemicalCompound:standardIn...	JZAAQYRBEZYMNY-OXQOHEQNSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3ccccc3N(CCN(C)C)C(=O)[C@@H]2C
chemicalCompound:molecularF...	C22 H28 N2 O2
chemicalCompound:moleculeId	154536
chemicalCompound:mwFreebase	352.47
chemicalCompound:alogp	3.806
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.546
chemicalCompound:acdLogD	3.164
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	352.47
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL98189
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254536
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:625185, activity:625186, activity:650471, activity:650472, activity:650473, activity:650474, activity:650475, activity:650476