1145359

Source:http://linkedlifedata.com/resource/chembl/compound/1145359

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3
chemicalCompound:standardIn...	FXHSVMUTRZPZBF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N)C12CC3CC(CC1C3)C2
chemicalCompound:molecularF...	C11H19N
chemicalCompound:moleculeId	1145359
chemicalCompound:mwFreebase	165.275
chemicalCompound:alogp	1.748
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.778
chemicalCompound:acdLogD	-0.19
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	165.275
chemicalCompound:acdMostBpk...	10.947
chemicalCompound:chemblId	CHEMBL1774313
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1245359
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:6197269, activity:6197286, activity:6197303, activity:6197320, activity:6197338, activity:6197355, activity:6197372, activity:6197923