237748

Source:http://linkedlifedata.com/resource/chembl/compound/237748

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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/C23H30N4O2/c1-3-14-26-21-19(22(28)27(15-4-2)23(26)29)24-20(25-21)18(17-12-8-9-13-17)16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,24,25)
chemicalCompound:standardIn...	OKHQKQUILBVGOL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)C(C3CCCC3)c4ccccc4
chemicalCompound:molecularF...	C23 H30 N4 O2
chemicalCompound:moleculeId	237748
chemicalCompound:mwFreebase	394.51
chemicalCompound:alogp	4.832
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	69.3
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.611
chemicalCompound:acdLogP	4.832
chemicalCompound:acdLogD	4.807
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	394.51
chemicalCompound:acdMostBpk...	1.708
chemicalCompound:chemblId	CHEMBL141486
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:337748
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:315914, activity:315915, activity:315916