201584

Source:http://linkedlifedata.com/resource/chembl/compound/201584

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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/C26H27NO2S/c1-29-22-15-13-21(14-16-22)27-25(20-11-17-23(30-2)18-12-20)24(26(27)28)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-18,24-25H,6,9-10H2,1-2H3/t24-,25-/m1/s1
chemicalCompound:standardIn...	WJGXDQLSFQHUIG-JWQCQUIFSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)N2[C@@H]([C@@H](CCCc3ccccc3)C2=O)c4ccc(SC)cc4
chemicalCompound:molecularF...	C26 H27 N O2 S
chemicalCompound:moleculeId	201584
chemicalCompound:mwFreebase	417.563
chemicalCompound:alogp	6.091
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	54.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.151
chemicalCompound:acdLogD	6.151
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	417.563
chemicalCompound:acdMostBpk...	0.283
chemicalCompound:chemblId	CHEMBL331171
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301584
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:1206755, activity:1206756