1238122

Source:http://linkedlifedata.com/resource/chembl/compound/1238122

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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/C27H27NO4S/c1-18-4-10-21(11-5-18)25-17-16-24(27(29)30)26(22-12-6-19(2)7-13-22)28(25)33(31,32)23-14-8-20(3)9-15-23/h4-16,25-26H,17H2,1-3H3,(H,29,30)/t25-,26-/m0/s1
chemicalCompound:standardIn...	UISHUNPHVMRCGL-UIOOFZCWSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)[C@@H]2CC=C([C@@H](N2S(=O)(=O)c3ccc(C)cc3)c4ccc(C)cc4)C(=O)O
chemicalCompound:molecularF...	C27H27NO4S
chemicalCompound:moleculeId	1238122
chemicalCompound:mwFreebase	461.573
chemicalCompound:alogp	5.827
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	83.06
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.021
chemicalCompound:acdLogP	7.525
chemicalCompound:acdLogD	4.3
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	461.573
chemicalCompound:chemblId	CHEMBL1897551
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1338122
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:7238884, activity:8361630, activity:10070769, activity:10608365