164083

Source:http://linkedlifedata.com/resource/chembl/compound/164083

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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/C27H36N4O8S3/c1-40(32,33)28-23-6-4-22(5-7-23)16-17-31(18-20-38-26-12-8-24(9-13-26)29-41(2,34)35)19-21-39-27-14-10-25(11-15-27)30-42(3,36)37/h4-15,28-30H,16-21H2,1-3H3
chemicalCompound:standardIn...	NUFYSEABCDWQIZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(=O)(=O)C)cc2)CCOc3ccc(NS(=O)(=O)C)cc3)cc1
chemicalCompound:molecularF...	C27 H36 N4 O8 S3
chemicalCompound:moleculeId	164083
chemicalCompound:mwFreebase	640.792
chemicalCompound:alogp	2.222
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	185.34
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.61
chemicalCompound:acdLogP	1.799
chemicalCompound:acdLogD	1.588
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	640.792
chemicalCompound:acdMostBpk...	7.19
chemicalCompound:chemblId	CHEMBL327371
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:264083
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:1006495, activity:1006496, activity:1006497, activity:1006498