90224

Source:http://linkedlifedata.com/resource/chembl/compound/90224

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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/C35H36N2O5S/c1-21-22(2)33-31(23(3)32(21)40-20-26-9-6-5-7-10-26)29(24(4)41-33)19-37-16-8-11-28(18-37)42-27-14-12-25(13-15-27)17-30-34(38)36-35(39)43-30/h5-7,9-10,12-15,17,28H,8,11,16,18-20H2,1-4H3,(H,36,38,39)/b30-17-/t28-/m1/s1
chemicalCompound:standardIn...	RAFQPUGTCFMNKH-DLKLHXKQSA-N
chemicalCompound:canonicalS...	Cc1oc2c(C)c(C)c(OCc3ccccc3)c(C)c2c1CN4CCC[C@H](C4)Oc5ccc(\C=C\6/SC(=O)NC6=O)cc5
chemicalCompound:molecularF...	C35 H36 N2 O5 S
chemicalCompound:moleculeId	90224
chemicalCompound:mwFreebase	596.736
chemicalCompound:alogp	7.612
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	106.3
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.556
chemicalCompound:acdLogP	6.062
chemicalCompound:acdLogD	5.163
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	596.736
chemicalCompound:acdMostBpk...	8.039
chemicalCompound:chemblId	CHEMBL57821
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190224
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:1027765, activity:1027766, activity:1062487, activity:1062488