734354

Source:http://linkedlifedata.com/resource/chembl/compound/734354

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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/C23H28N4O4/c1-4-27(5-2)14-13-24-22(30)17-9-8-10-18(15-17)26-23(31)21(29)19-11-6-7-12-20(19)25-16(3)28/h6-12,15H,4-5,13-14H2,1-3H3,(H,24,30)(H,25,28)(H,26,31)
chemicalCompound:standardIn...	MOTFJPBDQRAKNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)c2ccccc2NC(=O)C)c1
chemicalCompound:molecularF...	C23H28N4O4
chemicalCompound:moleculeId	734354
chemicalCompound:mwFreebase	424.493
chemicalCompound:alogp	1.665
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	107.61
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.034
chemicalCompound:acdLogP	2.898
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	424.493
chemicalCompound:acdMostBpk...	9.084
chemicalCompound:chemblId	CHEMBL1310470
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:834354
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:4261708, activity:5888125, activity:5959703, activity:6951329, activity:7081852