259724

Source:http://linkedlifedata.com/resource/chembl/compound/259724

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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/C14H22N4/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12/h9-10,13H,2-8H2,1H3,(H2,15,16,17)/t10-,13-/m1/s1
chemicalCompound:standardIn...	TUFADSGTJUOBEH-ZWNOBZJWSA-N
chemicalCompound:canonicalS...	CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@@H]12
chemicalCompound:molecularF...	C14 H22 N4
chemicalCompound:moleculeId	259724
chemicalCompound:mwFreebase	246.351
chemicalCompound:alogp	2.023
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	55.04
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.131
chemicalCompound:acdLogD	0.327
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	246.351
chemicalCompound:acdMostBpk...	9.281
chemicalCompound:chemblId	CHEMBL155731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:359724
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	QUINELORAME
chemicalCompound:activity	activity:171148, activity:171149, activity:171150, activity:171151, activity:443886, activity:443887, activity:443888, activity:443889, activity:1500439, activity:2053266, activity:2053269, activity:2053272, activity:4811325, activity:5006458, activity:5717626, activity:5998605, activity:6005837, activity:6009067, activity:6021219, activity:6041736, activity:6564418, activity:6808771, activity:6840303, activity:7440000, activity:7516601