60964

Source:http://linkedlifedata.com/resource/chembl/compound/60964

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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/C25H34N2O7/c1-5-7-8-13-33-24(28)21-17(3)26-18(4)22(25(29)34-15-14-32-12-6-2)23(21)19-10-9-11-20(16-19)27(30)31/h9-11,16,23,28H,5-8,12-15H2,1-4H3/b24-21+
chemicalCompound:standardIn...	ALYWJJBDPOOUNS-DARPEHSRSA-N
chemicalCompound:canonicalS...	CCCCCO\C(=C/1\C(C(=C(C)N=C1C)C(=O)OCCOCCC)c2cccc(c2)[N+](=O)[O-])\O
chemicalCompound:molecularF...	C25 H34 N2 O7
chemicalCompound:moleculeId	60964
chemicalCompound:mwFreebase	474.547
chemicalCompound:alogp	4.806
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	123.17
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.739
chemicalCompound:acdLogP	5.595
chemicalCompound:acdLogD	5.547
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.547
chemicalCompound:acdMostBpk...	3.522
chemicalCompound:chemblId	CHEMBL288857
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:160964
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:67057, activity:67058