579

Source:http://linkedlifedata.com/resource/chembl/compound/579

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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/C27H32N2O5S/c1-16-17(2)24-21(18(3)23(16)30)10-11-27(4,34-24)15-29(5)12-13-33-20-8-6-19(7-9-20)14-22-25(31)28-26(32)35-22/h6-9,14,30H,10-13,15H2,1-5H3,(H,28,31,32)/b22-14-
chemicalCompound:standardIn...	KMNLASVDSCDDGU-HMAPJEAMSA-N
chemicalCompound:canonicalS...	CN(CCOc1ccc(\C=C\2/SC(=O)NC2=O)cc1)CC3(C)CCc4c(C)c(O)c(C)c(C)c4O3
chemicalCompound:molecularF...	C27 H32 N2 O5 S
chemicalCompound:moleculeId	579
chemicalCompound:mwFreebase	496.618
chemicalCompound:alogp	5.678
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	113.4
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.621
chemicalCompound:acdLogP	4.205
chemicalCompound:acdLogD	3.628
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	496.618
chemicalCompound:acdMostBpk...	7.52
chemicalCompound:chemblId	CHEMBL6471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100579
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:351285, activity:351286, activity:650151, activity:650152, activity:650153, activity:650154, activity:650155, activity:650156, activity:650157