101145

Source:http://linkedlifedata.com/resource/chembl/compound/101145

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:8283
chemicalCompound:standardIn...	InChI=1S/C10H10N2O3S.Na/c1-10(9(14)15)5-16-8(12-10)7-6(13)3-2-4-11-7;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1/t10-;/m1./s1
chemicalCompound:standardIn...	UGJSEILLHZKUBG-HNCPQSOCSA-M
chemicalCompound:canonicalS...	[Na+].C[C@@]1(CSC(=N1)c2ncccc2O)C(=O)[O-]
chemicalCompound:molecularF...	C10 H9 N2 O3 S . Na
chemicalCompound:moleculeId	101145
chemicalCompound:mwFreebase	238.263
chemicalCompound:alogp	1.287
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	108.08
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.135
chemicalCompound:acdLogP	2.199
chemicalCompound:acdLogD	-1.781
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	260.245
chemicalCompound:acdMostBpk...	2.543
chemicalCompound:chemblId	CHEMBL63540
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201145
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:1232713, activity:1232714, activity:1232715, activity:1232716, activity:1232717, activity:1232718, activity:1232719, activity:1232720, activity:1232721