28375

Source:http://linkedlifedata.com/resource/chembl/compound/28375

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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/C22H19N5O2/c1-14-11-21(20(12-28)15(2)23-14)29-13-16-7-9-17(10-8-16)18-5-3-4-6-19(18)22-24-26-27-25-22/h3-12H,13H2,1-2H3,(H,24,25,26,27)
chemicalCompound:standardIn...	YKXWSALUAAWVHP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(OCc2ccc(cc2)c3ccccc3c4nn[nH]n4)c(C=O)c(C)n1
chemicalCompound:molecularF...	C22 H19 N5 O2
chemicalCompound:moleculeId	28375
chemicalCompound:mwFreebase	385.419
chemicalCompound:alogp	3.558
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	93.65
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.224
chemicalCompound:acdLogP	4.377
chemicalCompound:acdLogD	2.394
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	385.419
chemicalCompound:acdMostBpk...	5.978
chemicalCompound:chemblId	CHEMBL22837
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:128375
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:136954, activity:136955