182975

Source:http://linkedlifedata.com/resource/chembl/compound/182975

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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/C32H25N3O5/c1-2-3-15-33-26-13-11-22(35-30(36)23-12-9-21(32(38)39)16-24(23)31(35)37)18-25(26)29-34-27-17-20(10-14-28(27)40-29)19-7-5-4-6-8-19/h4-14,16-18,33H,2-3,15H2,1H3,(H,38,39)
chemicalCompound:standardIn...	DZMPZPAKKJGDTA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCNc1ccc(cc1c2oc3ccc(cc3n2)c4ccccc4)N5C(=O)c6ccc(cc6C5=O)C(=O)O
chemicalCompound:molecularF...	C32H25N3O5
chemicalCompound:moleculeId	182975
chemicalCompound:mwFreebase	531.558
chemicalCompound:alogp	6.175
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	112.74
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.283
chemicalCompound:acdLogP	5.728
chemicalCompound:acdLogD	2.63
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	531.558
chemicalCompound:acdMostBpk...	3.64
chemicalCompound:chemblId	CHEMBL321840
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282975
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:53975, activity:53976, activity:2224226