633702

Source:http://linkedlifedata.com/resource/chembl/compound/633702

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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/C9H5N3O5S2/c13-8(6-2-1-3-18-6)10-9-5(11(14)15)4-7(19-9)12(16)17/h1-4H,(H,10,13)
chemicalCompound:standardIn...	CXPVCCNCBPEVDP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1cc(c(NC(=O)c2cccs2)s1)[N+](=O)[O-]
chemicalCompound:molecularF...	C9H5N3O5S2
chemicalCompound:moleculeId	633702
chemicalCompound:mwFreebase	299.283
chemicalCompound:alogp	2.267
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	177.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.589
chemicalCompound:acdLogP	2.102
chemicalCompound:acdLogD	2.102
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	299.283
chemicalCompound:chemblId	CHEMBL1085250
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733702
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:3303014, activity:3303029, activity:3303044, activity:3303059