893373

Source:http://linkedlifedata.com/resource/chembl/compound/893373

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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/C21H17ClN2O5S2/c22-14-4-6-15(7-5-14)23-18(25)12-29-16-3-1-2-13(10-16)11-17-20(28)24(21(30)31-17)9-8-19(26)27/h1-7,10-11H,8-9,12H2,(H,23,25)(H,26,27)/b17-11+
chemicalCompound:standardIn...	BAYIKGKTRILIHC-GZTJUZNOSA-N
chemicalCompound:canonicalS...	OC(=O)CCN1C(=S)S\C(=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)\C1=O
chemicalCompound:molecularF...	C21H17ClN2O5S2
chemicalCompound:moleculeId	893373
chemicalCompound:mwFreebase	476.953
chemicalCompound:alogp	4.061
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	153.33
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.3
chemicalCompound:acdLogP	3.25
chemicalCompound:acdLogD	0.238
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	476.953
chemicalCompound:chemblId	CHEMBL1469489
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:993373
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:3788284, activity:3845043, activity:3930352, activity:4068646, activity:4936056, activity:4945816, activity:4991892, activity:5039720, activity:5340684, activity:5571815, activity:5604805, activity:5716211, activity:5815288, activity:5900764, activity:6441371, activity:6686934, activity:6821551, activity:6880559, activity:6936563, activity:7013780, activity:7018491, activity:7055949, activity:7227103, activity:7264120, activity:7424396, activity:10448740