1145360

Source:http://linkedlifedata.com/resource/chembl/compound/1145360

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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:1153422
chemicalCompound:standardIn...	InChI=1S/C12H17N.ClH/c13-12-7-3-1-5-9(7)10-6(11(5)12)2-4-8(10)12;/h5-11H,1-4,13H2;1H
chemicalCompound:standardIn...	LRYOLQXCVJYLTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NC12C3CCC4C3C5C(CCC15)C24
chemicalCompound:molecularF...	C12H18ClN
chemicalCompound:moleculeId	1145360
chemicalCompound:mwFreebase	175.27
chemicalCompound:alogp	1.049
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.584
chemicalCompound:acdLogD	-0.445
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	211.731
chemicalCompound:acdMostBpk...	11.248
chemicalCompound:chemblId	CHEMBL1774314
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1245360
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:6197274, activity:6197291, activity:6197308, activity:6197325, activity:6197343, activity:6197360, activity:6197928