213164

Source:http://linkedlifedata.com/resource/chembl/compound/213164

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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/C21H15ClFN5O3S2/c22-17-11-18(32)19(10-16(17)20(29)25-14-4-2-1-3-5-14)33(30,31)27-21-26-24-12-28(21)15-8-6-13(23)7-9-15/h1-12,32H,(H,25,29)(H,26,27)
chemicalCompound:standardIn...	PNOIMBLPSKUCFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1)n2cnnc2NS(=O)(=O)c3cc(C(=O)Nc4ccccc4)c(Cl)cc3S
chemicalCompound:molecularF...	C21 H15 Cl F N5 O3 S2
chemicalCompound:moleculeId	213164
chemicalCompound:mwFreebase	503.957
chemicalCompound:alogp	4.02
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	153.15
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.419
chemicalCompound:acdLogP	4.174
chemicalCompound:acdLogD	0.198
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	503.957
chemicalCompound:acdMostBpk...	0.349
chemicalCompound:chemblId	CHEMBL338005
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313164
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:883454, activity:883455