424206

Source:http://linkedlifedata.com/resource/chembl/compound/424206

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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/C13H15BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h3-6,8,10,16H,1-2,7,9H2/b4-3+/t10-/m1/s1
chemicalCompound:standardIn...	PNSCQHPUERUHCO-HMDXOVGESA-N
chemicalCompound:canonicalS...	Clc1ccc(Br)cc1\C=C\[C@H]2CCCNC2
chemicalCompound:molecularF...	C13 H15 Br Cl N
chemicalCompound:moleculeId	424206
chemicalCompound:mwFreebase	300.622
chemicalCompound:alogp	3.933
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.689
chemicalCompound:acdLogD	2.379
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	300.622
chemicalCompound:acdMostBpk...	9.785
chemicalCompound:chemblId	CHEMBL399307
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:524206
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:2078701, activity:2078710, activity:2078722, activity:2078723, activity:2078724, activity:2078725, activity:2078726, activity:2078727, activity:2078728, activity:2078729, activity:2078756, activity:2078757, activity:2078761, activity:2078765