243852

Source:http://linkedlifedata.com/resource/chembl/compound/243852

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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/C24H29N3O2/c1-16-23(17(2)29-27-16)19-11-12-22(28-3)20(14-19)15-26-21-10-7-13-25-24(21)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,21,24-26H,7,10,13,15H2,1-3H3/t21-,24-/m0/s1
chemicalCompound:standardIn...	NNCLFEXCOZZGBL-URXFXBBRSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1CN[C@H]2CCCN[C@H]2c3ccccc3)c4c(C)onc4C
chemicalCompound:molecularF...	C24 H29 N3 O2
chemicalCompound:moleculeId	243852
chemicalCompound:mwFreebase	391.506
chemicalCompound:alogp	3.456
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.32
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.213
chemicalCompound:acdLogD	2.121
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	391.506
chemicalCompound:acdMostBpk...	9.148
chemicalCompound:chemblId	CHEMBL146885
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:343852
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:730109, activity:730110, activity:730111, activity:730112