69

Source:http://linkedlifedata.com/resource/chembl/compound/69

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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/C28H30N6O6/c1-38-22-16-20-21(17-23(22)39-2)31-28(32-27(20)29)34-14-12-33(13-15-34)25(36)10-6-18-4-7-19(8-5-18)30-24(35)9-11-26(37)40-3/h4-11,16-17H,12-15H2,1-3H3,(H,30,35)(H2,29,31,32)/b10-6+,11-9+
chemicalCompound:standardIn...	ZIGHRJYAWFIVQF-BBYAVRKXSA-N
chemicalCompound:canonicalS...	COC(=O)\C=C\C(=O)Nc1ccc(\C=C\C(=O)N2CCN(CC2)c3nc(N)c4cc(OC)c(OC)cc4n3)cc1
chemicalCompound:molecularF...	C28 H30 N6 O6
chemicalCompound:moleculeId	69
chemicalCompound:mwFreebase	546.574
chemicalCompound:alogp	2.149
chemicalCompound:hba	10
chemicalCompound:hbd	2
chemicalCompound:psa	149.2
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.332
chemicalCompound:acdLogP	1.431
chemicalCompound:acdLogD	1.38
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	546.574
chemicalCompound:acdMostBpk...	6.524
chemicalCompound:chemblId	CHEMBL6219
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100069
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:309445, activity:309446