167483

Source:http://linkedlifedata.com/resource/chembl/compound/167483

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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/C7H12N2O5S2/c10-5(11)3(1-15)8-7(14)9-4(2-16)6(12)13/h3-4,15-16H,1-2H2,(H,10,11)(H,12,13)(H2,8,9,14)/t3-,4-/m0/s1
chemicalCompound:standardIn...	CMNXLSISTFSFFL-IMJSIDKUSA-N
chemicalCompound:canonicalS...	OC(=O)[C@H](CS)NC(=O)N[C@@H](CS)C(=O)O
chemicalCompound:molecularF...	C7 H12 N2 O5 S2
chemicalCompound:moleculeId	167483
chemicalCompound:mwFreebase	268.311
chemicalCompound:alogp	-0.533
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	193.33
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.14
chemicalCompound:acdLogP	0.113
chemicalCompound:acdLogD	-4.635
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	268.311
chemicalCompound:chemblId	CHEMBL317509
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:267483
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:407096