34953

Source:http://linkedlifedata.com/resource/chembl/compound/34953

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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/C23H25N3O3/c1-2-3-4-9-21-24-14-15-26(21)16-17-10-12-18(13-11-17)25-22(27)19-7-5-6-8-20(19)23(28)29/h5-8,10-15H,2-4,9,16H2,1H3,(H,25,27)(H,28,29)
chemicalCompound:standardIn...	AHLTZWZXMWHACI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCc1nccn1Cc2ccc(NC(=O)c3ccccc3C(=O)O)cc2
chemicalCompound:molecularF...	C23 H25 N3 O3
chemicalCompound:moleculeId	34953
chemicalCompound:mwFreebase	391.463
chemicalCompound:alogp	4.217
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	84.22
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.447
chemicalCompound:acdLogP	3.147
chemicalCompound:acdLogD	0.506
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	391.463
chemicalCompound:acdMostBpk...	7.665
chemicalCompound:chemblId	CHEMBL26652
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134953
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:663888