274735

Source:http://linkedlifedata.com/resource/chembl/compound/274735

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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/C29H35N3O2S2/c1-30(2)36(33,34)25-13-14-29-27(22-25)32(26-11-6-7-12-28(26)35-29)18-8-17-31-19-15-24(16-20-31)21-23-9-4-3-5-10-23/h3-7,9-14,22,24H,8,15-21H2,1-2H3
chemicalCompound:standardIn...	NSDBRWVOMFLMCQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(Cc5ccccc5)CC4)c2c1
chemicalCompound:molecularF...	C29 H35 N3 O2 S2
chemicalCompound:moleculeId	274735
chemicalCompound:mwFreebase	521.737
chemicalCompound:alogp	5.849
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	77.54
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.48
chemicalCompound:acdLogD	5.546
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	521.737
chemicalCompound:acdMostBpk...	9.397
chemicalCompound:chemblId	CHEMBL163738
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:374735
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:915084