154628

Source:http://linkedlifedata.com/resource/chembl/compound/154628

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:4909
chemicalCompound:standardIn...	InChI=1S/C28H29NO8S.2K/c1-4-5-19-14-21(28(31)32)9-12-23(19)37-26(20-8-13-24-25(15-20)36-16-35-24)27(30)29-38(33,34)22-10-6-18(7-11-22)17(2)3;;/h6-15,17,26H,4-5,16H2,1-3H3,(H2,29,30,31,32);;/q;2*+1/p-2
chemicalCompound:standardIn...	XNCBXDXIVANXHS-UHFFFAOYSA-L
chemicalCompound:canonicalS...	[K+].[K+].CCCc1cc(ccc1OC(C(=O)[N-]S(=O)(=O)c2ccc(cc2)C(C)C)c3ccc4OCOc4c3)C(=O)[O-]
chemicalCompound:molecularF...	C28 H27 N O8 S . 2 K
chemicalCompound:moleculeId	154628
chemicalCompound:mwFreebase	539.597
chemicalCompound:alogp	5.734
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	136.61
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.325
chemicalCompound:acdLogP	6.118
chemicalCompound:acdLogD	2.041
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	615.777
chemicalCompound:chemblId	CHEMBL313871
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:254628
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:977397, activity:977398, activity:977399