310581

Source:http://linkedlifedata.com/resource/chembl/compound/310581

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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/C17H18Br2ClN3S/c18-13-7-12(8-14(19)9-13)11-21-5-2-6-22-17(24)23-16-4-1-3-15(20)10-16/h1,3-4,7-10,21H,2,5-6,11H2,(H2,22,23,24)
chemicalCompound:standardIn...	MDJFXHRSVRJADP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(NC(=S)NCCCNCc2cc(Br)cc(Br)c2)c1
chemicalCompound:molecularF...	C17 H18 Br2 Cl N3 S
chemicalCompound:moleculeId	310581
chemicalCompound:mwFreebase	491.671
chemicalCompound:alogp	5.922
chemicalCompound:hba	2
chemicalCompound:hbd	3
chemicalCompound:psa	68.18
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.166
chemicalCompound:acdLogP	5.135
chemicalCompound:acdLogD	4.098
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.671
chemicalCompound:acdMostBpk...	8.471
chemicalCompound:chemblId	CHEMBL186859
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410581
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:1455340