11794

Source:http://linkedlifedata.com/resource/chembl/compound/11794

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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/C21H23N5O4/c1-4-5-11-14-17(27)25(12-13-9-7-6-8-10-13)20-22-16-15(26(20)18(14)28)19(29)24(3)21(30)23(16)2/h6-10,27H,4-5,11-12H2,1-3H3
chemicalCompound:standardIn...	DRACSHGNJXNVCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC1=C(O)N(Cc2ccccc2)c3nc4N(C)C(=O)N(C)C(=O)c4n3C1=O
chemicalCompound:molecularF...	C21 H23 N5 O4
chemicalCompound:moleculeId	11794
chemicalCompound:mwFreebase	409.438
chemicalCompound:alogp	3.44
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	98.98
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	4.136
chemicalCompound:acdLogD	1.333
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	409.438
chemicalCompound:chemblId	CHEMBL13047
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111794
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:864088, activity:864089, activity:864090, activity:864091, activity:864092, activity:864093, activity:864094, activity:864095