497226

Source:http://linkedlifedata.com/resource/chembl/compound/497226

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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/C26H35N3O5S2/c1-4-20(30)13-26(32)28-23(12-19-8-6-5-7-9-19)24(31)16-29(15-18(2)3)36(33,34)21-10-11-22-25(14-21)35-17-27-22/h5-11,14,17-18,20,23-24,30-31H,4,12-13,15-16H2,1-3H3,(H,28,32)/t20-,23-,24+/m0/s1
chemicalCompound:standardIn...	ZCSAEXQMBRAALO-NKKJXINNSA-N
chemicalCompound:canonicalS...	CC[C@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc3ncsc3c2
chemicalCompound:molecularF...	C26H35N3O5S2
chemicalCompound:moleculeId	497226
chemicalCompound:mwFreebase	533.703
chemicalCompound:alogp	3.315
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	156.44
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.447
chemicalCompound:acdLogP	3.405
chemicalCompound:acdLogD	3.405
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	533.703
chemicalCompound:chemblId	CHEMBL476611
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597226
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:2496836, activity:2496933