201270

Source:http://linkedlifedata.com/resource/chembl/compound/201270

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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/C27H30N2O2/c1-28(2)22-14-12-21(13-15-22)26-25(11-7-10-20-8-5-4-6-9-20)27(30)29(26)23-16-18-24(31-3)19-17-23/h4-6,8-9,12-19,25-26H,7,10-11H2,1-3H3/t25-,26-/m1/s1
chemicalCompound:standardIn...	OWSSCWHJTMNJOI-CLJLJLNGSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2[C@@H]([C@@H](CCCc3ccccc3)C2=O)c4ccc(cc4)N(C)C
chemicalCompound:molecularF...	C27 H30 N2 O2
chemicalCompound:moleculeId	201270
chemicalCompound:mwFreebase	414.539
chemicalCompound:alogp	5.711
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	32.78
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.443
chemicalCompound:acdLogD	6.441
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.539
chemicalCompound:acdMostBpk...	4.856
chemicalCompound:chemblId	CHEMBL122545
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301270
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:1214573, activity:1214574