1233556

Source:http://linkedlifedata.com/resource/chembl/compound/1233556

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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/C22H30N4O3S2/c1-16-4-7-20(18(3)14-16)25-31(27,28)19-6-5-17(2)21(15-19)24-22(30)23-8-9-26-10-12-29-13-11-26/h4-7,14-15,25H,8-13H2,1-3H3,(H2,23,24,30)
chemicalCompound:standardIn...	UNRMXTVKKOQBMI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=NCCN3CCOCC3)S)c2)c(C)c1
chemicalCompound:molecularF...	C22H30N4O3S2
chemicalCompound:moleculeId	1233556
chemicalCompound:mwFreebase	462.629
chemicalCompound:alogp	4.003
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	130.21
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.848
chemicalCompound:acdLogP	2.51
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	462.629
chemicalCompound:acdMostBpk...	12.759
chemicalCompound:chemblId	CHEMBL1892985
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1333556
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:7524323