763445

Source:http://linkedlifedata.com/resource/chembl/compound/763445

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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/C19H16ClNO4S/c1-25-12-8-6-11(7-9-12)14(10-16(22)23)21-19(24)18-17(20)13-4-2-3-5-15(13)26-18/h2-9,14H,10H2,1H3,(H,21,24)(H,22,23)
chemicalCompound:standardIn...	DTHUYRKJCWKLQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(CC(=O)O)NC(=O)c2sc3ccccc3c2Cl
chemicalCompound:molecularF...	C19H16ClNO4S
chemicalCompound:moleculeId	763445
chemicalCompound:mwFreebase	389.853
chemicalCompound:alogp	4.181
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	103.87
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.14
chemicalCompound:acdLogP	2.601
chemicalCompound:acdLogD	-0.5
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	389.853
chemicalCompound:chemblId	CHEMBL1339561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:863445
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:3996292, activity:4128157, activity:4338288, activity:4414595, activity:4807784, activity:4852687, activity:4908568, activity:5064271, activity:5876455