727403

Source:http://linkedlifedata.com/resource/chembl/compound/727403

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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/C22H24N2O3/c1-14(2)13-18-19-20(27-24(18)17-7-5-4-6-8-17)22(26)23(21(19)25)16-11-9-15(3)10-12-16/h4-12,14,18-20H,13H2,1-3H3
chemicalCompound:standardIn...	ZUPSITHYXMCPQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)CC1C2C(ON1c3ccccc3)C(=O)N(C2=O)c4ccc(C)cc4
chemicalCompound:molecularF...	C22H24N2O3
chemicalCompound:moleculeId	727403
chemicalCompound:mwFreebase	364.438
chemicalCompound:alogp	4.376
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	49.85
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.163
chemicalCompound:acdLogD	5.163
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.438
chemicalCompound:acdMostBpk...	1.331
chemicalCompound:chemblId	CHEMBL1303519
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:827403
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:4848073, activity:5449163, activity:5911534, activity:6637828, activity:6838824