213549

Source:http://linkedlifedata.com/resource/chembl/compound/213549

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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/C12H14ClN5O4S2/c1-6-3-9(8(4-7(6)13)23-5-10(19)22-2)24(20,21)18-12-15-11(14)16-17-12/h3-4H,5H2,1-2H3,(H4,14,15,16,17,18)
chemicalCompound:standardIn...	DZJSPJKWJUJAHC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)CSc1cc(Cl)c(C)cc1S(=O)(=O)Nc2n[nH]c(N)n2
chemicalCompound:molecularF...	C12 H14 Cl N5 O4 S2
chemicalCompound:moleculeId	213549
chemicalCompound:mwFreebase	391.854
chemicalCompound:alogp	1.793
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	173.74
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.294
chemicalCompound:acdLogP	1.209
chemicalCompound:acdLogD	-0.535
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.854
chemicalCompound:acdMostBpk...	5.467
chemicalCompound:chemblId	CHEMBL420148
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313549
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:887263, activity:8286518, activity:8292309, activity:8342343, activity:8370464, activity:8407649, activity:8449969, activity:8491886, activity:8534549, activity:8554684, activity:8604046, activity:8615349, activity:8674259, activity:8693965, activity:8754103, activity:8791528, activity:8824162, activity:8929261, activity:8935927, activity:8969879, activity:9003260, activity:9032499, activity:9082897, activity:9129246, activity:9220935, activity:9246815, activity:9258027, activity:9322091, activity:9387224, activity:9389824, activity:9466498, activity:9473188, activity:9510204, activity:9642295, activity:9752804, activity:9781515, activity:9814224, activity:9862301, activity:9899499, activity:9966601, activity:9979774, activity:9999328, activity:10103710, activity:10142623, activity:10144815, activity:10178207, activity:10309850, activity:10343491, activity:10367027, activity:10462799, activity:10482850, activity:10534595, activity:10553872, activity:10631508, activity:10712038, activity:10736710, activity:10763837, activity:10804663