1024750

Source:http://linkedlifedata.com/resource/chembl/compound/1024750

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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/C21H21ClN4O2S2/c1-13-10-17(14(2)25(13)8-9-28-3)19(27)12-30-21-24-23-20-26(21)18(11-29-20)15-4-6-16(22)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3
chemicalCompound:standardIn...	DUSCWAXXNPPWMX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCn1c(C)cc(C(=O)CSc2nnc3scc(c4ccc(Cl)cc4)n23)c1C
chemicalCompound:molecularF...	C21H21ClN4O2S2
chemicalCompound:moleculeId	1024750
chemicalCompound:mwFreebase	461
chemicalCompound:alogp	4.746
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	114.96
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.515
chemicalCompound:acdLogD	3.515
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	461
chemicalCompound:acdMostBpk...	0.06
chemicalCompound:chemblId	CHEMBL1600866
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1124750
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:3918228