306355

Source:http://linkedlifedata.com/resource/chembl/compound/306355

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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/C18H20Cl2N4O2S/c1-2-26-15-11(8-12(19)9-13(15)20)10-21-5-3-6-22-18-23-14-4-7-27-16(14)17(25)24-18/h4,7-9,21H,2-3,5-6,10H2,1H3,(H2,22,23,24,25)
chemicalCompound:standardIn...	ZCCCKVZKANNHFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1c(Cl)cc(Cl)cc1CNCCCNc2nc(O)c3sccc3n2
chemicalCompound:molecularF...	C18 H20 Cl2 N4 O2 S
chemicalCompound:moleculeId	306355
chemicalCompound:mwFreebase	427.348
chemicalCompound:alogp	4.405
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	107.54
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.5
chemicalCompound:acdLogP	4.193
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	427.348
chemicalCompound:acdMostBpk...	9.595
chemicalCompound:chemblId	CHEMBL181335
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:406355
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:1440050, activity:1440051, activity:1440052