115101

Source:http://linkedlifedata.com/resource/chembl/compound/115101

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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/C11H14N2O5S3/c1-11(5-20-10-12-2-3-19-10)8(9(15)16)13-6(14)4-7(13)21(11,17)18/h7-8H,2-5H2,1H3,(H,15,16)/t7-,8+,11+/m1/s1
chemicalCompound:standardIn...	MXCGPVVSKSQZRV-FYBVGQRMSA-N
chemicalCompound:canonicalS...	C[C@]1(CSC2=NCCS2)[C@@H](N3[C@@H](CC3=O)S1(=O)=O)C(=O)O
chemicalCompound:molecularF...	C11 H14 N2 O5 S3
chemicalCompound:moleculeId	115101
chemicalCompound:mwFreebase	350.434
chemicalCompound:alogp	0.659
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	163.08
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.297
chemicalCompound:acdLogP	1.815
chemicalCompound:acdLogD	-1.911
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	350.434
chemicalCompound:acdMostBpk...	3.539
chemicalCompound:chemblId	CHEMBL72046
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:215101
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:315172, activity:315173, activity:315174, activity:315175, activity:315176, activity:315177, activity:315178, activity:315179, activity:315180, activity:315181