142048

Source:http://linkedlifedata.com/resource/chembl/compound/142048

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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/C26H25NO5/c1-4-30-25(28)21-16(3)27-24(17-11-7-6-8-12-17)23(26(29)31-5-2)22(21)20-15-18-13-9-10-14-19(18)32-20/h6-15,22,28H,4-5H2,1-3H3/b25-21+
chemicalCompound:standardIn...	KVVBFLRXVLJDSU-NJNXFGOHSA-N
chemicalCompound:canonicalS...	CCO\C(=C/1\C(C(=C(N=C1C)c2ccccc2)C(=O)OCC)c3oc4ccccc4c3)\O
chemicalCompound:molecularF...	C26 H25 N O5
chemicalCompound:moleculeId	142048
chemicalCompound:mwFreebase	431.48
chemicalCompound:alogp	4.702
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.86
chemicalCompound:acdLogP	5.24
chemicalCompound:acdLogD	5.204
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	431.48
chemicalCompound:acdMostBpk...	3.046
chemicalCompound:chemblId	CHEMBL90160
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:242048
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:319671, activity:319672, activity:319673, activity:319674