496380

Source:http://linkedlifedata.com/resource/chembl/compound/496380

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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/C26H35N3O6S/c1-27-25(31)13-14-26(32)28-23(15-19-7-4-3-5-8-19)24(30)18-29(17-20-11-12-20)36(33,34)22-10-6-9-21(16-22)35-2/h3-10,16,20,23-24,30H,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t23-,24+/m0/s1
chemicalCompound:standardIn...	XCGCXCBWFPNYSI-BJKOFHAPSA-N
chemicalCompound:canonicalS...	CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC2CC2)S(=O)(=O)c3cccc(OC)c3
chemicalCompound:molecularF...	C26H35N3O6S
chemicalCompound:moleculeId	496380
chemicalCompound:mwFreebase	517.638
chemicalCompound:alogp	1.789
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	133.41
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.494
chemicalCompound:acdLogP	2.742
chemicalCompound:acdLogD	2.742
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	517.638
chemicalCompound:chemblId	CHEMBL515826
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596380
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:44145
chemicalCompound:activity	activity:2496900, activity:2496971