225343

Source:http://linkedlifedata.com/resource/chembl/compound/225343

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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/C26H23BrClN3O/c27-21-14-20-2-1-19-15-22(28)3-4-23(19)25(26(20)30-16-21)18-7-11-31(12-8-18)24(32)13-17-5-9-29-10-6-17/h3-6,9-10,14-16H,1-2,7-8,11-13H2
chemicalCompound:standardIn...	NQCBJVHBEATSBK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc2C(=C3CCN(CC3)C(=O)Cc4ccncc4)c5ncc(Br)cc5CCc2c1
chemicalCompound:molecularF...	C26 H23 Br Cl N3 O
chemicalCompound:moleculeId	225343
chemicalCompound:mwFreebase	508.837
chemicalCompound:alogp	5.305
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	46.09
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.86
chemicalCompound:acdLogD	3.856
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	508.837
chemicalCompound:acdMostBpk...	5.594
chemicalCompound:chemblId	CHEMBL342686
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:325343
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:596110, activity:596111, activity:596112