480573

Source:http://linkedlifedata.com/resource/chembl/compound/480573

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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/C17H21ClN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1
chemicalCompound:standardIn...	VMHPHANZAYAVEB-SJORKVTESA-N
chemicalCompound:canonicalS...	CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c2cccc(Cl)c2
chemicalCompound:molecularF...	C17H21ClN2O
chemicalCompound:moleculeId	480573
chemicalCompound:mwFreebase	304.814
chemicalCompound:alogp	3.36
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	35.5
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.408
chemicalCompound:acdLogD	1.55
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	304.814
chemicalCompound:acdMostBpk...	9.242
chemicalCompound:chemblId	CHEMBL512435
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:580573
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:2522749, activity:2522776, activity:2522800, activity:2522820