188156

Source:http://linkedlifedata.com/resource/chembl/compound/188156

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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/C21H25N5O6/c1-3-9-25-19-17(20(30)26(10-4-2)21(25)31)23-18(24-19)13-5-7-14(8-6-13)32-12-15(27)22-11-16(28)29/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)(H,28,29)
chemicalCompound:standardIn...	UJHTWPCTUKHPBY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(OCC(=O)NCC(=O)O)cc3
chemicalCompound:molecularF...	C21 H25 N5 O6
chemicalCompound:moleculeId	188156
chemicalCompound:mwFreebase	443.453
chemicalCompound:alogp	1.611
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	144.93
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.246
chemicalCompound:acdLogP	1.667
chemicalCompound:acdLogD	-1.991
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	443.453
chemicalCompound:acdMostBpk...	1.287
chemicalCompound:chemblId	CHEMBL114760
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:288156
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:563237, activity:563238, activity:563239, activity:563240, activity:563241