174708

Source:http://linkedlifedata.com/resource/chembl/compound/174708

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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/C21H17N3O3S/c1-12-11-28-21-18(12)20(26)22-17(23-21)9-13-5-7-14(8-6-13)19(25)15-3-2-4-16(10-15)24-27/h2-8,10-11,24,27H,9H2,1H3,(H,22,23,26)
chemicalCompound:standardIn...	MBPQFGXEBOXXAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1csc2nc(Cc3ccc(cc3)C(=O)c4cccc(NO)c4)nc(O)c12
chemicalCompound:molecularF...	C21 H17 N3 O3 S
chemicalCompound:moleculeId	174708
chemicalCompound:mwFreebase	391.443
chemicalCompound:alogp	4.734
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	123.58
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.436
chemicalCompound:acdLogP	2
chemicalCompound:acdLogD	-0.536
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	391.443
chemicalCompound:acdMostBpk...	8.875
chemicalCompound:chemblId	CHEMBL317816
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:274708
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:951916