236953

Source:http://linkedlifedata.com/resource/chembl/compound/236953

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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/C18H30N4O2/c1-5-9-13(10-6-2)15-19-14-16(20-15)21(11-7-3)18(24)22(12-8-4)17(14)23/h13H,5-12H2,1-4H3,(H,19,20)
chemicalCompound:standardIn...	BRBRZOYKFSNBNB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC(CCC)c1nc2C(=O)N(CCC)C(=O)N(CCC)c2[nH]1
chemicalCompound:molecularF...	C18 H30 N4 O2
chemicalCompound:moleculeId	236953
chemicalCompound:mwFreebase	334.456
chemicalCompound:alogp	4.376
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.3
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.01
chemicalCompound:acdLogP	4.793
chemicalCompound:acdLogD	4.783
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	334.456
chemicalCompound:acdMostBpk...	2.157
chemicalCompound:chemblId	CHEMBL356458
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:336953
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:305469, activity:305470, activity:305471, activity:841828, activity:841829, activity:841830