633629

Source:http://linkedlifedata.com/resource/chembl/compound/633629

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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/C11H5ClF3N3O3S/c12-7-9(18(20)21)22-10(16-7)17-8(19)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H,16,17,19)
chemicalCompound:standardIn...	CESRMPPLLXNQSF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[O-][N+](=O)c1sc(NC(=O)c2cccc(c2)C(F)(F)F)nc1Cl
chemicalCompound:molecularF...	C11H5ClF3N3O3S
chemicalCompound:moleculeId	633629
chemicalCompound:mwFreebase	351.689
chemicalCompound:alogp	3.446
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	116.04
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.227
chemicalCompound:acdLogP	4.766
chemicalCompound:acdLogD	2.986
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	351.689
chemicalCompound:chemblId	CHEMBL1085248
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:733629
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:3303009, activity:3303024, activity:3303039, activity:3303054