156585

Source:http://linkedlifedata.com/resource/chembl/compound/156585

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3
chemicalCompound:standardIn...	YHSMSRREJYOGQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
chemicalCompound:molecularF...	C19 H30 N2 O
chemicalCompound:moleculeId	156585
chemicalCompound:mwFreebase	302.454
chemicalCompound:alogp	5.143
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	51.04
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.393
chemicalCompound:acdLogD	3.227
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	302.454
chemicalCompound:acdMostBpk...	9.483
chemicalCompound:chemblId	CHEMBL97450
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256585
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:280334, activity:280335, activity:280336, activity:280337, activity:280338, activity:280339, activity:280340, activity:280341, activity:463119, activity:649937, activity:649938, activity:649939, activity:649940, activity:649941, activity:3716175, activity:3774971, activity:3935648, activity:3942961, activity:3967136, activity:4011369, activity:4021042, activity:4029059, activity:4070158, activity:4361631, activity:4385028, activity:4485366, activity:4525353, activity:4633145, activity:4793684, activity:4850714, activity:4865920, activity:4961667, activity:4977407, activity:5042605, activity:5057393, activity:5521325, activity:5525953, activity:5724899, activity:5852829, activity:5986610, activity:6003321, activity:6058353, activity:6061897, activity:6065015, activity:6432909, activity:6444636, activity:7040698, activity:7563829