101151

Source:http://linkedlifedata.com/resource/chembl/compound/101151

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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/C27H31NO10S/c1-12-7-9-15(28-12)24(32)37-22-20(31)26(38-27(3,4)23(22)34-5)35-17-10-8-14-19(30)18(16(29)11-39-6)25(33)36-21(14)13(17)2/h7-10,20,22-23,26,28,30-31H,11H2,1-6H3/t20-,22+,23-,26-/m1/s1
chemicalCompound:standardIn...	ULEOALOFQPUEGG-PCEGQDSGSA-N
chemicalCompound:canonicalS...	CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc3ccc4C(=C(C(=O)CSC)C(=O)Oc4c3C)O)OC1(C)C
chemicalCompound:molecularF...	C27H31NO10S
chemicalCompound:moleculeId	101151
chemicalCompound:mwFreebase	561.601
chemicalCompound:alogp	2.923
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	178.91
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	3.803
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	561.601
chemicalCompound:chemblId	CHEMBL294306
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201151
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:864287, activity:864288, activity:864289, activity:864290, activity:864291, activity:864292, activity:864293