424199

Source:http://linkedlifedata.com/resource/chembl/compound/424199

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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/C12H17BrClNO/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h4,6,9-10,15H,1-3,5,7-8H2/t9-,10?/m0/s1
chemicalCompound:standardIn...	YIJRFRHDRVWTHI-RGURZIINSA-N
chemicalCompound:canonicalS...	ClC1=CCC(Br)C=C1OC[C@H]2CCCNC2
chemicalCompound:molecularF...	C12 H17 Br Cl N O
chemicalCompound:moleculeId	424199
chemicalCompound:mwFreebase	306.626
chemicalCompound:alogp	2.31
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	21.26
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.57
chemicalCompound:acdLogD	0.069
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	306.626
chemicalCompound:acdMostBpk...	10.026
chemicalCompound:chemblId	CHEMBL254886
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:524199
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:2078707, activity:2078711, activity:2078737, activity:2078738, activity:2078739, activity:2078740, activity:2078741, activity:2078742, activity:2078743, activity:2078744, activity:2078755, activity:2078760, activity:2078763, activity:2078768