763621

Source:http://linkedlifedata.com/resource/chembl/compound/763621

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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:1041274
chemicalCompound:standardIn...	InChI=1S/C11H18N2.BrH/c1-2-3-4-5-8-13-9-6-11(12)7-10-13;/h6-7,9-10,12H,2-5,8H2,1H3;1H
chemicalCompound:standardIn...	LSWPDXUFUPYICY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Br.CCCCCCN1C=CC(=N)C=C1
chemicalCompound:molecularF...	C11H19BrN2
chemicalCompound:moleculeId	763621
chemicalCompound:mwFreebase	178.274
chemicalCompound:alogp	2.181
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	27.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.842
chemicalCompound:acdLogD	-1.158
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	259.186
chemicalCompound:acdMostBpk...	12.718
chemicalCompound:chemblId	CHEMBL1339737
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:863621
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:3636537, activity:3738338, activity:3802235, activity:3861685, activity:4069690, activity:4208863, activity:4535450, activity:4633059, activity:4779646, activity:4914863, activity:4994783, activity:5427775, activity:5665418, activity:5862874, activity:5894734, activity:5960688, activity:6578338, activity:6726001, activity:6741407, activity:6888167, activity:7192018, activity:7315973, activity:7491283, activity:7553418, activity:7554939