34870

Source:http://linkedlifedata.com/resource/chembl/compound/34870

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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/C21H21N3O3/c1-2-5-19-22-12-13-24(19)14-15-8-10-16(11-9-15)23-20(25)17-6-3-4-7-18(17)21(26)27/h3-4,6-13H,2,5,14H2,1H3,(H,23,25)(H,26,27)
chemicalCompound:standardIn...	LEQPGRYKFLEBAT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCc1nccn1Cc2ccc(NC(=O)c3ccccc3C(=O)O)cc2
chemicalCompound:molecularF...	C21 H21 N3 O3
chemicalCompound:moleculeId	34870
chemicalCompound:mwFreebase	363.41
chemicalCompound:alogp	3.304
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	84.22
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.447
chemicalCompound:acdLogP	2.128
chemicalCompound:acdLogD	-0.558
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	363.41
chemicalCompound:acdMostBpk...	7.494
chemicalCompound:chemblId	CHEMBL285829
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134870
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:658864