344752

Source:http://linkedlifedata.com/resource/chembl/compound/344752

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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/C32H39N3O10S2/c1-20(2)13-35(47(38,39)24-7-8-28-29(12-24)44-19-43-28)14-27(36)26(34-32(37)45-30-16-42-31-25(30)9-10-40-31)11-21-3-5-23(6-4-21)41-15-22-17-46-18-33-22/h3-8,12,17-18,20,25-27,30-31,36H,9-11,13-16,19H2,1-2H3,(H,34,37)/t25-,26-,27+,30-,31+/m0/s1
chemicalCompound:standardIn...	RRJZQDKJGFLMAN-JIPUOCAHSA-N
chemicalCompound:canonicalS...	CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2cscn2)cc1)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)S(=O)(=O)c5ccc6OCOc6c5
chemicalCompound:molecularF...	C32 H39 N3 O10 S2
chemicalCompound:moleculeId	344752
chemicalCompound:mwFreebase	689.796
chemicalCompound:alogp	3.384
chemicalCompound:hba	11
chemicalCompound:hbd	2
chemicalCompound:psa	191.59
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.223
chemicalCompound:acdLogP	3.287
chemicalCompound:acdLogD	3.287
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	689.796
chemicalCompound:acdMostBpk...	1.148
chemicalCompound:chemblId	CHEMBL438958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:444752
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:1705481, activity:1705516, activity:1705550