203521

Source:http://linkedlifedata.com/resource/chembl/compound/203521

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C28H37NO3/c1-20(12-14-24-22(3)11-8-16-28(24,4)5)9-7-10-21(2)17-27(31)29-19-23-13-15-25(30)26(18-23)32-6/h7,9-10,12-15,17-18,30H,8,11,16,19H2,1-6H3,(H,29,31)/b10-7+,14-12+,20-9+,21-17+
chemicalCompound:standardIn...	FGFIMXXLJAZRKO-IGHSUZHJSA-N
chemicalCompound:canonicalS...	COc1cc(CNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)ccc1O
chemicalCompound:molecularF...	C28 H37 N O3
chemicalCompound:moleculeId	203521
chemicalCompound:mwFreebase	435.598
chemicalCompound:alogp	6.454
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.56
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.755
chemicalCompound:acdLogP	6.59
chemicalCompound:acdLogD	6.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	435.598
chemicalCompound:chemblId	CHEMBL124163
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:303521
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:1201608, activity:1201609