1154627

Source:http://linkedlifedata.com/resource/chembl/compound/1154627

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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/C24H27N3O3/c1-3-16(2)22(27-23(29)17-9-5-4-6-10-17)24(30)26-19(15-28)13-18-14-25-21-12-8-7-11-20(18)21/h4-12,14-16,19,22,25H,3,13H2,1-2H3,(H,26,30)(H,27,29)/t16-,19-,22+/m1/s1
chemicalCompound:standardIn...	XALMMLXCBLXHHZ-PERKRYKHSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C=O
chemicalCompound:molecularF...	C24H27N3O3
chemicalCompound:moleculeId	1154627
chemicalCompound:mwFreebase	405.489
chemicalCompound:alogp	3.718
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	91.06
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.31
chemicalCompound:acdLogP	3.297
chemicalCompound:acdLogD	3.297
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.489
chemicalCompound:chemblId	CHEMBL1790996
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1254627
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:324633, activity:324634, activity:324635