91265

Source:http://linkedlifedata.com/resource/chembl/compound/91265

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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/C17H19ClN2O2S/c1-22-16-10-13(4-7-15(16)21)11-20-17(23)19-9-8-12-2-5-14(18)6-3-12/h2-7,10,21H,8-9,11H2,1H3,(H2,19,20,23)
chemicalCompound:standardIn...	KDXZRBCUTLWBGQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C\N=C(/S)\NCCc2ccc(Cl)cc2)ccc1O
chemicalCompound:molecularF...	C17 H19 Cl N2 O2 S
chemicalCompound:moleculeId	91265
chemicalCompound:mwFreebase	350.863
chemicalCompound:alogp	4.548
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	92.65
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.522
chemicalCompound:acdLogP	4.124
chemicalCompound:acdLogD	1.621
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	350.863
chemicalCompound:acdMostBpk...	14.966
chemicalCompound:chemblId	CHEMBL60744
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:191265
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:947052, activity:947053, activity:947054, activity:947055, activity:947056, activity:1097822