96536

Source:http://linkedlifedata.com/resource/chembl/compound/96536

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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/C26H30N2O5S/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/h2,5-6,11-14,16,19-20H,1,3-4,7-10,15,17-18H2/t20-/m0/s1
chemicalCompound:standardIn...	SHYCPWWQCBOBBN-FQEVSTJZSA-N
chemicalCompound:canonicalS...	O=C1N(CC2CCCCC2)c3ccc(cc3C1=O)S(=O)(=O)N4CCC[C@H]4COc5ccccc5
chemicalCompound:molecularF...	C26 H30 N2 O5 S
chemicalCompound:moleculeId	96536
chemicalCompound:mwFreebase	482.592
chemicalCompound:alogp	4.304
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	92.36
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.854
chemicalCompound:acdLogD	4.854
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	482.592
chemicalCompound:chemblId	CHEMBL64895
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196536
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:364470, activity:2702697, activity:2702722