201238

Source:http://linkedlifedata.com/resource/chembl/compound/201238

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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/C25H26N2O2/c1-29-22-16-14-21(15-17-22)27-24(19-10-12-20(26)13-11-19)23(25(27)28)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23-24H,5,8-9,26H2,1H3/t23-,24-/m1/s1
chemicalCompound:standardIn...	IGQRQTQYCPUUDA-DNQXCXABSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2[C@@H]([C@@H](CCCc3ccccc3)C2=O)c4ccc(N)cc4
chemicalCompound:molecularF...	C25 H26 N2 O2
chemicalCompound:moleculeId	201238
chemicalCompound:mwFreebase	386.486
chemicalCompound:alogp	4.803
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.591
chemicalCompound:acdLogD	4.591
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.486
chemicalCompound:acdMostBpk...	4.396
chemicalCompound:chemblId	CHEMBL123217
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301238
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:1208106, activity:1208107, activity:1208108