35000

Source:http://linkedlifedata.com/resource/chembl/compound/35000

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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/C24H27N3O3/c1-2-3-4-5-10-22-25-15-16-27(22)17-18-11-13-19(14-12-18)26-23(28)20-8-6-7-9-21(20)24(29)30/h6-9,11-16H,2-5,10,17H2,1H3,(H,26,28)(H,29,30)
chemicalCompound:standardIn...	XHQPJJLKSRIFPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCc1nccn1Cc2ccc(NC(=O)c3ccccc3C(=O)O)cc2
chemicalCompound:molecularF...	C24 H27 N3 O3
chemicalCompound:moleculeId	35000
chemicalCompound:mwFreebase	405.489
chemicalCompound:alogp	4.673
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	84.22
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.448
chemicalCompound:acdLogP	3.656
chemicalCompound:acdLogD	1.12
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	405.489
chemicalCompound:acdMostBpk...	8.349
chemicalCompound:chemblId	CHEMBL27981
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:135000
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:634779