885025

Source:http://linkedlifedata.com/resource/chembl/compound/885025

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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/C20H20N4O4/c1-27-16-11-7-14(8-12-16)20-23-18(28-24-20)4-2-3-17(25)22-15-9-5-13(6-10-15)19(21)26/h5-12H,2-4H2,1H3,(H2,21,26)(H,22,25)
chemicalCompound:standardIn...	PZFLCKJJUSZAPB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2noc(CCCC(=O)Nc3ccc(cc3)C(=O)N)n2
chemicalCompound:molecularF...	C20H20N4O4
chemicalCompound:moleculeId	885025
chemicalCompound:mwFreebase	380.397
chemicalCompound:alogp	1.923
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	120.34
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.123
chemicalCompound:acdLogD	2.123
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	380.397
chemicalCompound:acdMostBpk...	0.047
chemicalCompound:chemblId	CHEMBL1461141
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:985025
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:3828332, activity:4098034, activity:4563490, activity:4794524, activity:4953573, activity:5419773, activity:5509609, activity:5527507, activity:5538459, activity:5590253, activity:5881295, activity:6520097, activity:7314040, activity:7382670, activity:7451034