301724

Source:http://linkedlifedata.com/resource/chembl/compound/301724

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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/C25H35N7O2/c1-17(2)22-20(30-25(34)26-10-7-13-31-11-5-4-6-12-31)15-32-23(22)24(27-16-28-32)29-19-9-8-18(3)21(33)14-19/h8-9,14-17,33H,4-7,10-13H2,1-3H3,(H2,26,30,34)(H,27,28,29)
chemicalCompound:standardIn...	IJBYRASUMDAGNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)c1c(NC(=O)NCCCN2CCCCC2)cn3ncnc(Nc4ccc(C)c(O)c4)c13
chemicalCompound:molecularF...	C25 H35 N7 O2
chemicalCompound:moleculeId	301724
chemicalCompound:mwFreebase	465.591
chemicalCompound:alogp	3.555
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	106.82
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.296
chemicalCompound:acdLogP	3.252
chemicalCompound:acdLogD	1.132
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	465.591
chemicalCompound:acdMostBpk...	9.7
chemicalCompound:chemblId	CHEMBL360118
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:401724
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:1427924, activity:1427925, activity:1427926