1028148

Source:http://linkedlifedata.com/resource/chembl/compound/1028148

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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/C15H14BrFN2S/c16-12-6-7-14(13(17)10-12)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)
chemicalCompound:standardIn...	UMCPWWLZODVFJA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1cc(Br)ccc1N=C(S)NCCc2ccccc2
chemicalCompound:molecularF...	C15H14BrFN2S
chemicalCompound:moleculeId	1028148
chemicalCompound:mwFreebase	353.252
chemicalCompound:alogp	5.089
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.19
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.93
chemicalCompound:acdLogP	4.487
chemicalCompound:acdLogD	1.989
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	353.252
chemicalCompound:acdMostBpk...	11.014
chemicalCompound:chemblId	CHEMBL1604264
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1128148
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:3862184, activity:3946613, activity:4022235, activity:4075121, activity:4282301, activity:4433526, activity:4461327, activity:4501944, activity:4517585, activity:4559134, activity:4782058, activity:5012955, activity:5033084, activity:5333277, activity:5753607, activity:5851039, activity:5929566, activity:5987938, activity:6013151, activity:6014132, activity:6025237, activity:6028319, activity:6514664, activity:6628503, activity:7057651, activity:7186904, activity:7262714, activity:7397057, activity:9829484