36327

Source:http://linkedlifedata.com/resource/chembl/compound/36327

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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/C24H29N3O4/c1-30-18-9-10-22(31-2)21(17-18)26-15-13-25(14-16-26)11-5-6-12-27-23(28)19-7-3-4-8-20(19)24(27)29/h3-4,7-10,17H,5-6,11-16H2,1-2H3
chemicalCompound:standardIn...	STYWSTAPTNDZGN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(OC)c(c1)N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2
chemicalCompound:molecularF...	C24 H29 N3 O4
chemicalCompound:moleculeId	36327
chemicalCompound:mwFreebase	423.505
chemicalCompound:alogp	3.24
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	62.32
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.244
chemicalCompound:acdLogD	2.906
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.505
chemicalCompound:acdMostBpk...	7.825
chemicalCompound:chemblId	CHEMBL26306
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:136327
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:616001, activity:616002, activity:616003, activity:828268