261391

Source:http://linkedlifedata.com/resource/chembl/compound/261391

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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/C18H20N4O4/c1-3-9-21-15-13(16(23)22(10-4-2)18(21)26)19-14(20-15)11-5-7-12(8-6-11)17(24)25/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H,24,25)
chemicalCompound:standardIn...	DNQSBNFCLWHHHQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(cc3)C(=O)O
chemicalCompound:molecularF...	C18 H20 N4 O4
chemicalCompound:moleculeId	261391
chemicalCompound:mwFreebase	356.376
chemicalCompound:alogp	2.716
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	106.6
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.863
chemicalCompound:acdLogP	3.076
chemicalCompound:acdLogD	0.028
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	356.376
chemicalCompound:acdMostBpk...	0.36
chemicalCompound:chemblId	CHEMBL423239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361391
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:395587, activity:395588, activity:557409, activity:557410, activity:557411, activity:557412, activity:557413, activity:848127, activity:848128, activity:848129, activity:1077212, activity:1077213, activity:1077214, activity:1077215, activity:1077216, activity:1077217, activity:1307683, activity:1307684, activity:1307685