201495

Source:http://linkedlifedata.com/resource/chembl/compound/201495

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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/C26H29NO4/c1-30-22-15-11-20(12-16-22)25(27-21-13-17-23(31-2)18-14-21)24(26(28)29)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-18,24-25,27H,6,9-10H2,1-2H3,(H,28,29)/t24-,25-/m1/s1
chemicalCompound:standardIn...	AUWKWKKZWGHXTL-JWQCQUIFSA-N
chemicalCompound:canonicalS...	COc1ccc(N[C@@H]([C@@H](CCCc2ccccc2)C(=O)O)c3ccc(OC)cc3)cc1
chemicalCompound:molecularF...	C26 H29 N O4
chemicalCompound:moleculeId	201495
chemicalCompound:mwFreebase	419.513
chemicalCompound:alogp	5.811
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	67.79
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.669
chemicalCompound:acdLogP	4.682
chemicalCompound:acdLogD	1.779
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	419.513
chemicalCompound:acdMostBpk...	4.908
chemicalCompound:chemblId	CHEMBL124357
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301495
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:1188269, activity:1188270