19849

Source:http://linkedlifedata.com/resource/chembl/compound/19849

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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/C23H31N3O4S/c1-4-16(24)13-5-7-14(8-6-13)17-9-15(10-25-17)31-21-11(2)19-18(12(3)27)22(28)26(19)20(21)23(29)30/h5-8,11-12,15-19,25,27H,4,9-10,24H2,1-3H3,(H,29,30)/t11-,12-,15+,16?,17-,18-,19-/m1/s1
chemicalCompound:standardIn...	GVJXPQVHOXRUHU-NIZWMFIQSA-N
chemicalCompound:canonicalS...	CCC(N)c1ccc(cc1)[C@H]2C[C@@H](CN2)SC3=C(N4[C@H]([C@H]3C)[C@@H]([C@@H](C)O)C4=O)C(=O)O
chemicalCompound:molecularF...	C23 H31 N3 O4 S
chemicalCompound:moleculeId	19849
chemicalCompound:mwFreebase	445.575
chemicalCompound:alogp	-1.911
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	141.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.268
chemicalCompound:acdLogP	0.258
chemicalCompound:acdLogD	-3.101
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	445.575
chemicalCompound:acdMostBpk...	9.408
chemicalCompound:chemblId	CHEMBL417267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:119849
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:874259, activity:874260, activity:874261, activity:874262, activity:874263, activity:874264, activity:874265, activity:874266