496383

Source:http://linkedlifedata.com/resource/chembl/compound/496383

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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/C22H31N3O7S/c1-16(26)14-25(33(30,31)22-9-6-12-32-22)15-19(27)18(13-17-7-4-3-5-8-17)24-21(29)11-10-20(28)23-2/h3-9,12,16,18-19,26-27H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,29)/t16-,18-,19+/m0/s1
chemicalCompound:standardIn...	JDVGPVUPVOHYRZ-YTQUADARSA-N
chemicalCompound:canonicalS...	CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H](C)O)S(=O)(=O)c2occc2
chemicalCompound:molecularF...	C22H31N3O7S
chemicalCompound:moleculeId	496383
chemicalCompound:mwFreebase	481.562
chemicalCompound:alogp	0.052
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	157.55
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.515
chemicalCompound:acdLogP	0.645
chemicalCompound:acdLogD	0.645
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	481.562
chemicalCompound:chemblId	CHEMBL458675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596383
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:2496884, activity:2496987