45268

Source:http://linkedlifedata.com/resource/chembl/compound/45268

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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/C28H40N2O3S/c1-5-7-17-29(18-8-6-2)19-11-21-33-25-13-15-26(16-14-25)34(31,32)28-27(23(3)4)22-24-12-9-10-20-30(24)28/h9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3
chemicalCompound:standardIn...	XVKSCRWGZPSWLD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(CCCC)CCCOc1ccc(cc1)S(=O)(=O)c2c(cc3ccccn23)C(C)C
chemicalCompound:molecularF...	C28 H40 N2 O3 S
chemicalCompound:moleculeId	45268
chemicalCompound:mwFreebase	484.694
chemicalCompound:alogp	7.203
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	59.4
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.721
chemicalCompound:acdLogD	4.736
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	484.694
chemicalCompound:acdMostBpk...	9.415
chemicalCompound:chemblId	CHEMBL30440
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:145268
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:277903, activity:277904