870915

Source:http://linkedlifedata.com/resource/chembl/compound/870915

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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/C25H28N4O5/c1-27-23(30)20(22(26)29(25(27)32)16-17-6-4-3-5-7-17)21(28-12-14-34-15-13-28)18-8-10-19(11-9-18)24(31)33-2/h3-11,21H,12-16,26H2,1-2H3
chemicalCompound:standardIn...	BGKUSLFKKXJYIO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1ccc(cc1)C(N2CCOCC2)C3=C(N)N(Cc4ccccc4)C(=O)N(C)C3=O
chemicalCompound:molecularF...	C25H28N4O5
chemicalCompound:moleculeId	870915
chemicalCompound:mwFreebase	464.514
chemicalCompound:alogp	1.953
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	105.41
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.452
chemicalCompound:acdLogD	2.451
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.514
chemicalCompound:acdMostBpk...	4.34
chemicalCompound:chemblId	CHEMBL1447031
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:970915
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:3716134, activity:3942938, activity:3987260, activity:4011319, activity:4058651, activity:4126321, activity:4305541, activity:4793633, activity:4823825, activity:6820515, activity:7181029, activity:7331914