158338

Source:http://linkedlifedata.com/resource/chembl/compound/158338

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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/C35H35FN8O12S2/c1-35(2,32(52)53)56-40-23(20-14-58-33(37)38-20)27(46)39-24-28(47)44-25(31(50)51)15(13-57-29(24)44)12-55-34(54)42-7-5-41(6-8-42)22-10-21-17(9-19(22)36)26(45)18(30(48)49)11-43(21)16-3-4-16/h9-11,14,16,24,29H,3-8,12-13H2,1-2H3,(H2,37,38)(H,39,46)(H,48,49)(H,50,51)(H,52,53)/b40-23-/t24-,29-/m1/s1
chemicalCompound:standardIn...	HGCHVFOSRIRASP-LAJQIWBQSA-N
chemicalCompound:canonicalS...	CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)N3CCN(CC3)c4cc5N(C=C(C(=O)O)C(=O)c5cc4F)C6CC6)\c7csc(N)n7)C(=O)O
chemicalCompound:molecularF...	C35 H35 F N8 O12 S2
chemicalCompound:moleculeId	158338
chemicalCompound:mwFreebase	842.827
chemicalCompound:alogp	1.221
chemicalCompound:hba	18
chemicalCompound:hbd	5
chemicalCompound:psa	328.44
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.63
chemicalCompound:acdLogP	3.334
chemicalCompound:acdLogD	-2.165
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	842.827
chemicalCompound:acdMostBpk...	1.34
chemicalCompound:chemblId	CHEMBL432957
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:258338
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:301740, activity:301741, activity:301742, activity:301743, activity:301744, activity:301745, activity:301746, activity:301747, activity:301748, activity:301749, activity:301750, activity:301751, activity:301752, activity:301753, activity:301754, activity:301755, activity:301756, activity:301757, activity:301758, activity:301759, activity:301760, activity:301761, activity:301762, activity:301763, activity:301764, activity:301765