286254

Source:http://linkedlifedata.com/resource/chembl/compound/286254

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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/C26H31N5O3/c1-2-3-4-5-6-7-9-19-12-14-20(15-13-19)16-17-24(32)27-21-10-8-11-22-25(21)34-23(18-33-22)26-28-30-31-29-26/h8,10-17,23H,2-7,9,18H2,1H3,(H,27,32)(H,28,29,30,31)/b17-16+
chemicalCompound:standardIn...	WZLAUXKXTLNMDW-WUKNDPDISA-N
chemicalCompound:canonicalS...	CCCCCCCCc1ccc(\C=C\C(=O)Nc2cccc3OCC(Oc23)c4nn[nH]n4)cc1
chemicalCompound:molecularF...	C26 H31 N5 O3
chemicalCompound:moleculeId	286254
chemicalCompound:mwFreebase	461.556
chemicalCompound:alogp	6.004
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	102.02
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.93
chemicalCompound:acdLogP	5.422
chemicalCompound:acdLogD	3.437
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	461.556
chemicalCompound:acdMostBpk...	0.932
chemicalCompound:chemblId	CHEMBL170678
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:386254
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:283439