1292306

Source:http://linkedlifedata.com/resource/chembl/compound/1292306

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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/C21H19Cl2N3O5S/c1-2-30-17-7-12(10-24-26-21-25-20(29)18(32-21)9-19(27)28)3-6-16(17)31-11-13-4-5-14(22)8-15(13)23/h3-8,10,18H,2,9,11H2,1H3,(H,27,28)(H,25,26,29)/b24-10+
chemicalCompound:standardIn...	KTHJULAPAWMBGF-YSURURNPSA-N
chemicalCompound:canonicalS...	CCOc1cc(\C=N\NC2=NC(=O)C(CC(=O)O)S2)ccc1OCc3ccc(Cl)cc3Cl
chemicalCompound:molecularF...	C21H19Cl2N3O5S
chemicalCompound:moleculeId	1292306
chemicalCompound:mwFreebase	496.364
chemicalCompound:alogp	5.044
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	134.88
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.807
chemicalCompound:acdLogP	4.594
chemicalCompound:acdLogD	1.267
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	496.364
chemicalCompound:acdMostBpk...	0.909
chemicalCompound:chemblId	CHEMBL1971015
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1392306
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:3636926, activity:3724352, activity:3867588, activity:3938835, activity:4023707, activity:4278159, activity:4522580, activity:4663761, activity:4839950, activity:4843205, activity:4890376, activity:5351117, activity:5513472, activity:5571735, activity:5573782, activity:5791069, activity:5977004, activity:6648770, activity:6883464, activity:6950861, activity:6963627, activity:6981906, activity:7040875, activity:7057730, activity:7361572, activity:7465617, activity:10418289, activity:10427538, activity:10606651, activity:10668568