417909

Source:http://linkedlifedata.com/resource/chembl/compound/417909

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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/C36H46N4O4S/c1-22-17-23(2)19-25(18-22)32-31(29(41)21-38-11-9-24(10-12-38)34(42)39-13-15-44-16-14-39)28-20-30(45-33(28)37-32)36(3,4)35(43)40-26-5-6-27(40)8-7-26/h17-20,24,26-27,37H,5-16,21H2,1-4H3
chemicalCompound:standardIn...	ULUYZUAQIFOWDD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(c1)c2[nH]c3sc(cc3c2C(=O)CN4CCC(CC4)C(=O)N5CCOCC5)C(C)(C)C(=O)N6C7CCC6CC7
chemicalCompound:molecularF...	C36 H46 N4 O4 S
chemicalCompound:moleculeId	417909
chemicalCompound:mwFreebase	630.84
chemicalCompound:alogp	5.364
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	114.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.427
chemicalCompound:acdLogD	4.418
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	630.84
chemicalCompound:acdMostBpk...	5.826
chemicalCompound:chemblId	CHEMBL398648
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:517909
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:2052154, activity:2052165, activity:2052176, activity:2052182