19889

Source:http://linkedlifedata.com/resource/chembl/compound/19889

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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/C19H25N3O4S2/c1-8-15-14(9(2)23)18(24)22(15)16(19(25)26)17(8)28-11-5-12(21-7-11)13-4-3-10(6-20)27-13/h3-4,8-9,11-12,14-15,21,23H,5-7,20H2,1-2H3,(H,25,26)/t8-,9-,11+,12-,14-,15-/m1/s1
chemicalCompound:standardIn...	KBEIDRYISWVVCP-YHOWJNEMSA-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(CN)s4
chemicalCompound:molecularF...	C19 H25 N3 O4 S2
chemicalCompound:moleculeId	19889
chemicalCompound:mwFreebase	423.549
chemicalCompound:alogp	-2.887
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	169.42
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	-0.83
chemicalCompound:acdLogD	-3.978
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	423.549
chemicalCompound:acdMostBpk...	8.883
chemicalCompound:chemblId	CHEMBL416168
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119889
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:890371, activity:890372, activity:890373, activity:890374, activity:890375, activity:890376, activity:890377, activity:890378