816653

Source:http://linkedlifedata.com/resource/chembl/compound/816653

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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:1042392
chemicalCompound:standardIn...	InChI=1S/C16H19ClN2.ClH/c1-2-18-8-9-19-14-7-6-11(17)10-13(14)12-4-3-5-15(18)16(12)19;/h6-7,10,15H,2-5,8-9H2,1H3;1H
chemicalCompound:standardIn...	RTBVUBNWLGQGSK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN1CCn2c3C1CCCc3c4cc(Cl)ccc24
chemicalCompound:molecularF...	C16H20Cl2N2
chemicalCompound:moleculeId	816653
chemicalCompound:mwFreebase	274.788
chemicalCompound:alogp	4.435
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	8.17
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.309
chemicalCompound:acdLogD	1.88
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	311.249
chemicalCompound:acdMostBpk...	8.821
chemicalCompound:chemblId	CHEMBL1392769
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:916653
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:3654696, activity:3734872, activity:4056358, activity:4184580, activity:4403725, activity:5009820, activity:5058349, activity:5341718, activity:5761624, activity:5839350, activity:6435139, activity:6462490, activity:7124648, activity:7453066