282598

Source:http://linkedlifedata.com/resource/chembl/compound/282598

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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/C25H25N3O3S/c1-17-26-23-14-19-4-3-13-28(25(19)15-24(23)27-17)16-18-5-9-21(10-6-18)32(29,30)22-11-7-20(31-2)8-12-22/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,26,27)
chemicalCompound:standardIn...	IODKXSBKLLPRHC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)S(=O)(=O)c2ccc(CN3CCCc4cc5[nH]c(C)nc5cc34)cc2
chemicalCompound:molecularF...	C25 H25 N3 O3 S
chemicalCompound:moleculeId	282598
chemicalCompound:mwFreebase	447.549
chemicalCompound:alogp	4.969
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.67
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.766
chemicalCompound:acdLogP	4.404
chemicalCompound:acdLogD	4.132
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	447.549
chemicalCompound:acdMostBpk...	7.237
chemicalCompound:chemblId	CHEMBL169727
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:382598
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:662459, activity:662460, activity:662461, activity:662462, activity:662463, activity:662464, activity:662465