10068

Source:http://linkedlifedata.com/resource/chembl/compound/10068

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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/C10H15N3O7S/c1-21(17,18)20-8-5(4-14)19-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)
chemicalCompound:standardIn...	VAUJJKNQYHUZFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)OC1C(O)C(OC1CO)N2C=CC(=NC2=O)N
chemicalCompound:molecularF...	C10 H15 N3 O7 S
chemicalCompound:moleculeId	10068
chemicalCompound:mwFreebase	321.307
chemicalCompound:alogp	-2.413
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	160.13
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.791
chemicalCompound:acdLogP	-2.022
chemicalCompound:acdLogD	-2.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	321.307
chemicalCompound:acdMostBpk...	4.263
chemicalCompound:chemblId	CHEMBL12023
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:110068
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:221183, activity:221184, activity:221185, activity:221186