30345

Source:http://linkedlifedata.com/resource/chembl/compound/30345

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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/C21H28N4O2/c1-27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)18-7-6-10-22-17-18/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,23,26)
chemicalCompound:standardIn...	AHHOKEBBUZLGDG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccccc1N2CCN(CCCCNC(=O)c3cccnc3)CC2
chemicalCompound:molecularF...	C21 H28 N4 O2
chemicalCompound:moleculeId	30345
chemicalCompound:mwFreebase	368.473
chemicalCompound:alogp	2.281
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	57.7
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.844
chemicalCompound:acdLogP	1.905
chemicalCompound:acdLogD	1.469
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.473
chemicalCompound:acdMostBpk...	7.849
chemicalCompound:chemblId	CHEMBL23912
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:130345
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:610396