553511

Source:http://linkedlifedata.com/resource/chembl/compound/553511

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:663339
chemicalCompound:standardIn...	InChI=1S/C15H21ClN2O.ClH/c1-3-18(4-2)14(19)15(9-12(15)10-17)11-6-5-7-13(16)8-11;/h5-8,12H,3-4,9-10,17H2,1-2H3;1H/t12?,15-;/m0./s1
chemicalCompound:standardIn...	CEIFRCHESJYGAV-GNFRJPFZSA-N
chemicalCompound:canonicalS...	Cl.CCN(CC)C(=O)[C@@]1(CC1CN)c2cccc(Cl)c2
chemicalCompound:molecularF...	C15H22Cl2N2O
chemicalCompound:moleculeId	553511
chemicalCompound:mwFreebase	280.793
chemicalCompound:alogp	1.952
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	46.33
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.437
chemicalCompound:acdLogD	-1.312
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	317.254
chemicalCompound:acdMostBpk...	10.358
chemicalCompound:chemblId	CHEMBL538597
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:653511
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:436760, activity:436761, activity:436762, activity:436763, activity:436764