58

Source:http://linkedlifedata.com/resource/chembl/compound/58

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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/C30H36N6O6/c1-40-24-18-22-23(19-25(24)41-2)33-30(34-29(22)31)36-16-14-35(15-17-36)27(38)7-5-4-6-20-8-10-21(11-9-20)32-26(37)12-13-28(39)42-3/h8-13,18-19H,4-7,14-17H2,1-3H3,(H,32,37)(H2,31,33,34)/b13-12+
chemicalCompound:standardIn...	RZYZZMZIPSVZRD-OUKQBFOZSA-N
chemicalCompound:canonicalS...	COC(=O)\C=C\C(=O)Nc1ccc(CCCCC(=O)N2CCN(CC2)c3nc(N)c4cc(OC)c(OC)cc4n3)cc1
chemicalCompound:molecularF...	C30 H36 N6 O6
chemicalCompound:moleculeId	58
chemicalCompound:mwFreebase	576.643
chemicalCompound:alogp	3.085
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	149.2
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.645
chemicalCompound:acdLogP	2.606
chemicalCompound:acdLogD	2.545
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	576.643
chemicalCompound:acdMostBpk...	6.526
chemicalCompound:chemblId	CHEMBL266223
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100058
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:345193, activity:345194