497283

Source:http://linkedlifedata.com/resource/chembl/compound/497283

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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/C27H37N3O5S2/c1-3-5-9-14-30(37(34,35)22-12-13-23-26(17-22)36-19-28-23)18-25(32)24(15-20-10-7-6-8-11-20)29-27(33)16-21(31)4-2/h6-8,10-13,17,19,21,24-25,31-32H,3-5,9,14-16,18H2,1-2H3,(H,29,33)/t21-,24-,25+/m0/s1
chemicalCompound:standardIn...	GEKBHIBDOXRWQG-GVXSCFBNSA-N
chemicalCompound:canonicalS...	CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](O)CC)S(=O)(=O)c2ccc3ncsc3c2
chemicalCompound:molecularF...	C27H37N3O5S2
chemicalCompound:moleculeId	497283
chemicalCompound:mwFreebase	547.73
chemicalCompound:alogp	3.908
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	156.44
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.465
chemicalCompound:acdLogP	4.07
chemicalCompound:acdLogD	4.07
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.73
chemicalCompound:chemblId	CHEMBL478058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597283
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:2496858, activity:2497010