19588

Source:http://linkedlifedata.com/resource/chembl/compound/19588

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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/C22H29N3O4S/c1-10-18-17(12(3)26)21(27)25(18)19(22(28)29)20(10)30-15-8-16(24-9-15)14-6-4-13(5-7-14)11(2)23/h4-7,10-12,15-18,24,26H,8-9,23H2,1-3H3,(H,28,29)/t10-,11?,12-,15+,16-,17-,18-/m1/s1
chemicalCompound:standardIn...	UWTVDOKLFZCPQY-ZJCWSXNPSA-N
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)S[C@@H]3CN[C@H](C3)c4ccc(cc4)C(C)N
chemicalCompound:molecularF...	C22 H29 N3 O4 S
chemicalCompound:moleculeId	19588
chemicalCompound:mwFreebase	431.548
chemicalCompound:alogp	-2.434
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	141.19
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	-0.252
chemicalCompound:acdLogD	-3.573
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	431.548
chemicalCompound:acdMostBpk...	9.111
chemicalCompound:chemblId	CHEMBL17699
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119588
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:874251, activity:874252, activity:874253, activity:874254, activity:874255, activity:874256, activity:874257, activity:874258