204778

Source:http://linkedlifedata.com/resource/chembl/compound/204778

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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/C37H37N3O6S/c1-2-3-4-5-6-15-34-38-37(39-40(34)24-26-16-20-28(21-17-26)30-11-7-9-13-32(30)35(41)42)47(45,46)25-27-18-22-29(23-19-27)31-12-8-10-14-33(31)36(43)44/h7-14,16-23H,2-6,15,24-25H2,1H3,(H,41,42)(H,43,44)
chemicalCompound:standardIn...	YRSDYWMLTOZXGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCc1nc(nn1Cc2ccc(cc2)c3ccccc3C(=O)O)S(=O)(=O)Cc4ccc(cc4)c5ccccc5C(=O)O
chemicalCompound:molecularF...	C37 H37 N3 O6 S
chemicalCompound:moleculeId	204778
chemicalCompound:mwFreebase	651.771
chemicalCompound:alogp	8.515
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	147.83
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.77
chemicalCompound:acdLogP	8.298
chemicalCompound:acdLogD	4.151
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	651.771
chemicalCompound:chemblId	CHEMBL123549
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:304778
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:724994