19926

Source:http://linkedlifedata.com/resource/chembl/compound/19926

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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/C21H27N3O4S/c1-10-17-16(11(2)25)20(26)24(17)18(21(27)28)19(10)29-14-7-15(23-9-14)13-5-3-4-12(6-13)8-22/h3-6,10-11,14-17,23,25H,7-9,22H2,1-2H3,(H,27,28)/t10-,11-,14+,15-,16-,17-/m1/s1
chemicalCompound:standardIn...	JIYAFGWSDOFZAD-NBLURSEKSA-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)c4cccc(CN)c4
chemicalCompound:molecularF...	C21 H27 N3 O4 S
chemicalCompound:moleculeId	19926
chemicalCompound:mwFreebase	417.522
chemicalCompound:alogp	-2.812
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	-0.791
chemicalCompound:acdLogD	-4.102
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	417.522
chemicalCompound:acdMostBpk...	9.214
chemicalCompound:chemblId	CHEMBL17820
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119926
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:902326, activity:902327, activity:902328, activity:902329, activity:902330, activity:902331, activity:902332, activity:902333