34570

Source:http://linkedlifedata.com/resource/chembl/compound/34570

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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/C26H23N3O4/c1-33-21-12-8-18(9-13-21)16-24-27-14-15-29(24)17-19-6-10-20(11-7-19)28-25(30)22-4-2-3-5-23(22)26(31)32/h2-15H,16-17H2,1H3,(H,28,30)(H,31,32)
chemicalCompound:standardIn...	MXHWGGVFTAYENC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(Cc2nccn2Cc3ccc(NC(=O)c4ccccc4C(=O)O)cc3)cc1
chemicalCompound:molecularF...	C26 H23 N3 O4
chemicalCompound:moleculeId	34570
chemicalCompound:mwFreebase	441.479
chemicalCompound:alogp	3.864
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	93.45
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.447
chemicalCompound:acdLogP	2.376
chemicalCompound:acdLogD	-0.368
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	441.479
chemicalCompound:acdMostBpk...	7.307
chemicalCompound:chemblId	CHEMBL25701
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134570
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:658866