213044

Source:http://linkedlifedata.com/resource/chembl/compound/213044

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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/C17H18ClN5O2S2/c1-10-4-6-12(7-5-10)19-16-20-17(23(3)21-16)22-27(24,25)15-8-11(2)13(18)9-14(15)26/h4-9,26H,1-3H3,(H2,19,20,21,22)
chemicalCompound:standardIn...	OEJYSZFVMRVPGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(Nc2nc(NS(=O)(=O)c3cc(C)c(Cl)cc3S)n(C)n2)cc1
chemicalCompound:molecularF...	C17 H18 Cl N5 O2 S2
chemicalCompound:moleculeId	213044
chemicalCompound:mwFreebase	423.94
chemicalCompound:alogp	4.255
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	136.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.998
chemicalCompound:acdLogP	4.859
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	423.94
chemicalCompound:acdMostBpk...	5.477
chemicalCompound:chemblId	CHEMBL338144
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313044
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:884680, activity:884681