205522

Source:http://linkedlifedata.com/resource/chembl/compound/205522

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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/C21H29N3O8S2/c1-4-11(2)16(22)20(27)24-34(28,29)31-9-15-17(25)18(26)19(32-15)21-23-13(10-33-21)12-7-5-6-8-14(12)30-3/h5-8,10-11,15-19,25-26H,4,9,22H2,1-3H3,(H,24,27)/t11?,15-,16+,17-,18-,19-/m1/s1
chemicalCompound:standardIn...	XSRXZXOKBZFCHB-DPLAEZHRSA-N
chemicalCompound:canonicalS...	CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2nc(cs2)c3ccccc3OC
chemicalCompound:molecularF...	C21 H29 N3 O8 S2
chemicalCompound:moleculeId	205522
chemicalCompound:mwFreebase	515.6
chemicalCompound:alogp	0.609
chemicalCompound:hba	10
chemicalCompound:hbd	4
chemicalCompound:psa	206.91
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.3
chemicalCompound:acdLogP	1.196
chemicalCompound:acdLogD	-1.169
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	515.6
chemicalCompound:acdMostBpk...	8.052
chemicalCompound:chemblId	CHEMBL538163
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:305522
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:267704, activity:267705, activity:267706, activity:267707