474109

Source:http://linkedlifedata.com/resource/chembl/compound/474109

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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/C20H16Cl2N2O3S/c1-3-11(2)19(26)12-8-9-14(18(22)17(12)21)27-10-16(25)24-20-23-13-6-4-5-7-15(13)28-20/h4-9H,2-3,10H2,1H3,(H,23,24,25)
chemicalCompound:standardIn...	DOXUWPCLXIXGAQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCC(=O)Nc2nc3ccccc3s2)c(Cl)c1Cl
chemicalCompound:molecularF...	C20H16Cl2N2O3S
chemicalCompound:moleculeId	474109
chemicalCompound:mwFreebase	435.324
chemicalCompound:alogp	5.744
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	96.52
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.49
chemicalCompound:acdLogP	4.683
chemicalCompound:acdLogD	4.65
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.324
chemicalCompound:acdMostBpk...	1.043
chemicalCompound:chemblId	CHEMBL482215
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:574109
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:2492422, activity:2492464