763233

Source:http://linkedlifedata.com/resource/chembl/compound/763233

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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/C15H17ClN2O3S/c1-8(15(2,3)4)17-14(19)13-12(16)10-6-5-9(18(20)21)7-11(10)22-13/h5-8H,1-4H3,(H,17,19)
chemicalCompound:standardIn...	JWUACHIPJWCTHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+](=O)[O-])C(C)(C)C
chemicalCompound:molecularF...	C15H17ClN2O3S
chemicalCompound:moleculeId	763233
chemicalCompound:mwFreebase	340.825
chemicalCompound:alogp	4.593
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	103.16
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.42
chemicalCompound:acdLogP	3.469
chemicalCompound:acdLogD	3.469
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	340.825
chemicalCompound:chemblId	CHEMBL1339349
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:863233
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:4009419, activity:4080830, activity:4131080, activity:4359063, activity:4512257, activity:4537391, activity:4801347, activity:4817496, activity:5358806, activity:5500256, activity:5502580, activity:5542003, activity:5560021, activity:5638329, activity:5687011, activity:5800101, activity:5858899, activity:6435141, activity:6671650, activity:6752090, activity:6758109, activity:6793433, activity:6862602, activity:7039395, activity:7066565, activity:7183953, activity:7421736, activity:7464629, activity:9791467, activity:10426812, activity:10433562