159893

Source:http://linkedlifedata.com/resource/chembl/compound/159893

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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/C21H27N3O4/c25-20(26)11-7-2-1-6-10-16-17(19-13-12-18(16)28-19)14-22-24-21(27)23-15-8-4-3-5-9-15/h1,3-6,8-9,14,16-19H,2,7,10-13H2,(H,25,26)(H2,23,24,27)/b6-1-,22-14+
chemicalCompound:standardIn...	QJLBOUDSUVHNPR-BOCBRTGQSA-N
chemicalCompound:canonicalS...	OC(=O)CCC\C=C/CC1C2CCC(O2)C1\C=N\NC(=O)Nc3ccccc3
chemicalCompound:molecularF...	C21 H27 N3 O4
chemicalCompound:moleculeId	159893
chemicalCompound:mwFreebase	385.457
chemicalCompound:alogp	2.707
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	100.02
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.759
chemicalCompound:acdLogP	2.611
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	385.457
chemicalCompound:acdMostBpk...	1.719
chemicalCompound:chemblId	CHEMBL318426
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259893
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:1157079, activity:1157080, activity:1157081