361253

Source:http://linkedlifedata.com/resource/chembl/compound/361253

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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/C35H34N2O9S2/c1-25-9-15-30(16-10-25)48(42,43)46-21-20-44-29-13-11-26(12-14-29)23-36-33-18-17-31(22-32(33)34(38)35(36)39)47(40,41)37-19-5-6-27(37)24-45-28-7-3-2-4-8-28/h2-4,7-18,22,27H,5-6,19-21,23-24H2,1H3/t27-/m0/s1
chemicalCompound:standardIn...	RRBOQMCBPIXZCY-MHZLTWQESA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)S(=O)(=O)OCCOc2ccc(CN3C(=O)C(=O)c4cc(ccc34)S(=O)(=O)N5CCC[C@H]5COc6ccccc6)cc2
chemicalCompound:molecularF...	C35 H34 N2 O9 S2
chemicalCompound:moleculeId	361253
chemicalCompound:mwFreebase	690.782
chemicalCompound:alogp	5.189
chemicalCompound:hba	9
chemicalCompound:hbd	0
chemicalCompound:psa	153.35
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.757
chemicalCompound:acdLogD	4.757
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	690.782
chemicalCompound:chemblId	CHEMBL386510
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:461253
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:1778198, activity:1778217, activity:1778236, activity:1778255, activity:1778292, activity:1778334