593077

Source:http://linkedlifedata.com/resource/chembl/compound/593077

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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/C26H26N4O2/c1-18-23-14-20(10-11-26(23)30-29-18)24-15-22(16-28-25(24)9-5-6-12-31)32-17-21(27)13-19-7-3-2-4-8-19/h2-4,7-8,10-11,14-16,21,31H,6,12-13,17,27H2,1H3,(H,29,30)/t21-/m0/s1
chemicalCompound:standardIn...	PMHKZESZKHZCSN-NRFANRHFSA-N
chemicalCompound:canonicalS...	Cc1n[nH]c2ccc(cc12)c3cc(OC[C@@H](N)Cc4ccccc4)cnc3C#CCCO
chemicalCompound:molecularF...	C26H26N4O2
chemicalCompound:moleculeId	593077
chemicalCompound:mwFreebase	426.51
chemicalCompound:alogp	3.947
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	97.05
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.095
chemicalCompound:acdLogP	2.242
chemicalCompound:acdLogD	2.086
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.51
chemicalCompound:acdMostBpk...	7.14
chemicalCompound:chemblId	CHEMBL592898
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:693077
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:3075703, activity:3075730