310326

Source:http://linkedlifedata.com/resource/chembl/compound/310326

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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/C17H17Br2Cl2N3O/c18-12-6-11(7-13(19)8-12)10-22-4-1-5-23-17(25)24-14-2-3-15(20)16(21)9-14/h2-3,6-9,22H,1,4-5,10H2,(H2,23,24,25)
chemicalCompound:standardIn...	PUUNXGDFSPPXBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=O)NCCCNCc2cc(Br)cc(Br)c2)cc1Cl
chemicalCompound:molecularF...	C17 H17 Br2 Cl2 N3 O
chemicalCompound:moleculeId	310326
chemicalCompound:mwFreebase	510.05
chemicalCompound:alogp	5.02
chemicalCompound:hba	2
chemicalCompound:hbd	3
chemicalCompound:psa	53.16
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.422
chemicalCompound:acdLogP	6.341
chemicalCompound:acdLogD	5.312
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	510.05
chemicalCompound:acdMostBpk...	8.421
chemicalCompound:chemblId	CHEMBL185968
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410326
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:1455354