82948

Source:http://linkedlifedata.com/resource/chembl/compound/82948

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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/C25H27NO3/c1-2-23(17-20-9-5-3-6-10-20)26(28)25(27)18-21-13-15-24(16-14-21)29-19-22-11-7-4-8-12-22/h3-16,23,28H,2,17-19H2,1H3
chemicalCompound:standardIn...	JTKIBFZRUHVVOS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(Cc1ccccc1)N(O)C(=O)Cc2ccc(OCc3ccccc3)cc2
chemicalCompound:molecularF...	C25 H27 N O3
chemicalCompound:moleculeId	82948
chemicalCompound:mwFreebase	389.487
chemicalCompound:alogp	5.458
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.024
chemicalCompound:acdLogP	5.2
chemicalCompound:acdLogD	5.19
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.487
chemicalCompound:chemblId	CHEMBL55172
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:182948
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:99800, activity:99801, activity:99802, activity:99803, activity:99804