1282437

Source:http://linkedlifedata.com/resource/chembl/compound/1282437

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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/C27H25NO2S/c1-5-17(2)27(29)23-12-13-25(19(4)18(23)3)30-15-26-28-24(16-31-26)22-11-10-20-8-6-7-9-21(20)14-22/h6-14,16H,2,5,15H2,1,3-4H3
chemicalCompound:standardIn...	PTRVIOOYBSCOSA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(=C)C(=O)c1ccc(OCc2nc(cs2)c3ccc4ccccc4c3)c(C)c1C
chemicalCompound:molecularF...	C27H25NO2S
chemicalCompound:moleculeId	1282437
chemicalCompound:mwFreebase	427.558
chemicalCompound:alogp	7.213
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	67.43
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	6.047
chemicalCompound:acdLogD	6.047
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	427.558
chemicalCompound:acdMostBpk...	1.878
chemicalCompound:chemblId	CHEMBL1956911
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1382437
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:8059092, activity:8059115