1299684

Source:http://linkedlifedata.com/resource/chembl/compound/1299684

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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/C21H21ClN4O4S2/c1-13(2)18(25-19(27)16-5-3-4-6-17(16)22)20(28)24-14-7-9-15(10-8-14)32(29,30)26-21-23-11-12-31-21/h3-13,18H,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t18-/m0/s1
chemicalCompound:standardIn...	ZYMBRKPUIOABMS-SFHVURJKSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3
chemicalCompound:molecularF...	C21H21ClN4O4S2
chemicalCompound:moleculeId	1299684
chemicalCompound:mwFreebase	492.999
chemicalCompound:alogp	3.151
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	153.88
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.014
chemicalCompound:acdLogP	3.167
chemicalCompound:acdLogD	2.664
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	492.999
chemicalCompound:acdMostBpk...	1.774
chemicalCompound:chemblId	CHEMBL1978393
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1399684
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:10608351