90916

Source:http://linkedlifedata.com/resource/chembl/compound/90916

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C9H13N3O3S/c1-5-2-12(9(14)11-8(5)10)6-4-16-7(3-13)15-6/h2,6-7,13H,3-4H2,1H3,(H2,10,11,14)/t6-,7+/m0/s1
chemicalCompound:standardIn...	ZQVQEBGUQLDSPM-NKWVEPMBSA-N
chemicalCompound:canonicalS...	CC1=CN([C@@H]2CS[C@H](CO)O2)C(=O)N=C1N
chemicalCompound:molecularF...	C9 H13 N3 O3 S
chemicalCompound:moleculeId	90916
chemicalCompound:mwFreebase	243.283
chemicalCompound:alogp	-0.144
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	13.827
chemicalCompound:acdLogP	-0.093
chemicalCompound:acdLogD	-0.093
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	243.283
chemicalCompound:acdMostBpk...	4.497
chemicalCompound:chemblId	CHEMBL60483
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:190916
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:1157682, activity:1157683, activity:1157684