1018075

Source:http://linkedlifedata.com/resource/chembl/compound/1018075

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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/C18H16ClNO5S/c1-3-25-18(24)16-15(11-4-6-12(19)7-5-11)10(2)26-17(16)20-13(21)8-9-14(22)23/h4-9H,3H2,1-2H3,(H,20,21)(H,22,23)/b9-8+
chemicalCompound:standardIn...	QNKWEGQIGLNNOJ-CMDGGOBGSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1c(NC(=O)\C=C\C(=O)O)sc(C)c1c2ccc(Cl)cc2
chemicalCompound:molecularF...	C18H16ClNO5S
chemicalCompound:moleculeId	1018075
chemicalCompound:mwFreebase	393.841
chemicalCompound:alogp	3.512
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	120.94
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.333
chemicalCompound:acdLogP	3.514
chemicalCompound:acdLogD	-0.189
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	393.841
chemicalCompound:chemblId	CHEMBL1594191
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118075
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:3631536, activity:3657753, activity:3874022, activity:4009567, activity:4132072, activity:4512328, activity:5583783, activity:5801735, activity:6440827, activity:6548010, activity:6763388, activity:6988718, activity:7045146, activity:7058220, activity:7067430, activity:7195193, activity:7261490, activity:7425562, activity:7446362, activity:10101991, activity:10638560, activity:10788413