418720

Source:http://linkedlifedata.com/resource/chembl/compound/418720

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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/C24H28N2O4/c1-3-24-10-6-11-25-12-9-18-17-7-4-5-8-19(17)26(21(18)22(24)25)20(15-24)23(28)30-14-13-29-16(2)27/h4-5,7-8,15,22H,3,6,9-14H2,1-2H3/t22-,24-/m1/s1
chemicalCompound:standardIn...	RWTVOOSEEBEYRF-ISKFKSNPSA-N
chemicalCompound:canonicalS...	CC[C@]12CCCN3CCc4c([C@H]13)n(C(=C2)C(=O)OCCOC(=O)C)c5ccccc45
chemicalCompound:molecularF...	C24 H28 N2 O4
chemicalCompound:moleculeId	418720
chemicalCompound:mwFreebase	408.49
chemicalCompound:alogp	3.785
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	60.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.364
chemicalCompound:acdLogD	2.837
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.49
chemicalCompound:acdMostBpk...	7.775
chemicalCompound:chemblId	CHEMBL254222
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518720
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:2067508, activity:2067528, activity:2067540, activity:2067550, activity:2067553