632180

Source:http://linkedlifedata.com/resource/chembl/compound/632180

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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/C25H34N2O4/c1-6-7-14-27(17-23(28)26-22-13-8-18(2)15-19(22)3)16-20-9-11-21(12-10-20)31-25(4,5)24(29)30/h8-13,15H,6-7,14,16-17H2,1-5H3,(H,26,28)(H,29,30)
chemicalCompound:standardIn...	OOYXWGZCUHJLKA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(CC(=O)Nc1ccc(C)cc1C)Cc2ccc(OC(C)(C)C(=O)O)cc2
chemicalCompound:molecularF...	C25H34N2O4
chemicalCompound:moleculeId	632180
chemicalCompound:mwFreebase	426.548
chemicalCompound:alogp	2.067
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	78.87
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.195
chemicalCompound:acdLogP	4.31
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	426.548
chemicalCompound:acdMostBpk...	6.804
chemicalCompound:chemblId	CHEMBL1086516
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:732180
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:3313641