141846

Source:http://linkedlifedata.com/resource/chembl/compound/141846

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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/C28H29NO4/c1-6-32-26(30)24-22(18-17-20-13-9-7-10-14-20)23(27(31)33-28(3,4)5)19(2)29-25(24)21-15-11-8-12-16-21/h7-16,22,31H,6H2,1-5H3/b27-23+
chemicalCompound:standardIn...	RGZOHEBUZCVHPO-SLEBQGDGSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=C(N=C(C)\C(=C(\O)/OC(C)(C)C)\C1C#Cc2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C28 H29 N O4
chemicalCompound:moleculeId	141846
chemicalCompound:mwFreebase	443.534
chemicalCompound:alogp	5.491
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	68.12
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.514
chemicalCompound:acdLogP	6.497
chemicalCompound:acdLogD	6.421
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	443.534
chemicalCompound:acdMostBpk...	1.903
chemicalCompound:chemblId	CHEMBL89494
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:241846
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:329881, activity:329882, activity:329883, activity:329884