274785

Source:http://linkedlifedata.com/resource/chembl/compound/274785

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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/C31H37N5O3S2/c1-33(2)41(38,39)25-14-15-29-27(22-25)35(26-12-6-7-13-28(26)40-29)19-9-8-18-34-20-16-31(17-21-34)30(37)32-23-36(31)24-10-4-3-5-11-24/h3-7,10-15,22H,8-9,16-21,23H2,1-2H3,(H,32,37)
chemicalCompound:standardIn...	UTMABAMOJRXVAA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCCN4CCC5(CC4)N(CNC5=O)c6ccccc6)c2c1
chemicalCompound:molecularF...	C31 H37 N5 O3 S2
chemicalCompound:moleculeId	274785
chemicalCompound:mwFreebase	591.787
chemicalCompound:alogp	4.485
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	109.88
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.143
chemicalCompound:acdLogD	4.381
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	591.787
chemicalCompound:acdMostBpk...	9.198
chemicalCompound:chemblId	CHEMBL349028
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:374785
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:913785