96512

Source:http://linkedlifedata.com/resource/chembl/compound/96512

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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/C26H24N2O5S/c29-25-23-16-22(13-14-24(23)27(26(25)30)17-19-8-3-1-4-9-19)34(31,32)28-15-7-10-20(28)18-33-21-11-5-2-6-12-21/h1-6,8-9,11-14,16,20H,7,10,15,17-18H2/t20-/m0/s1
chemicalCompound:standardIn...	PKOUAUWPBMZQCH-FQEVSTJZSA-N
chemicalCompound:canonicalS...	O=C1N(Cc2ccccc2)c3ccc(cc3C1=O)S(=O)(=O)N4CCC[C@H]4COc5ccccc5
chemicalCompound:molecularF...	C26H24N2O5S
chemicalCompound:moleculeId	96512
chemicalCompound:mwFreebase	476.544
chemicalCompound:alogp	3.698
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	92.37
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.988
chemicalCompound:acdLogD	3.988
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.544
chemicalCompound:chemblId	CHEMBL439753
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196512
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:377188, activity:377189, activity:377190, activity:377191, activity:377192, activity:377193, activity:377194, activity:377195, activity:377196, activity:377197, activity:377198, activity:377199, activity:377200, activity:1654089, activity:1654094, activity:1654100, activity:1654106, activity:1654111, activity:2402464, activity:2418449, activity:2596870, activity:2597919, activity:2597933, activity:2597934, activity:2597935, activity:6150998