117938

Source:http://linkedlifedata.com/resource/chembl/compound/117938

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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/C42H47N7O5S/c1-42(2)38(49-41(55-42)37(39(53)44-25-29-18-10-5-11-19-29)48-36(52)23-28-16-8-4-9-17-28)40(54)47-32(22-27-14-6-3-7-15-27)33(50)24-35(51)43-26-34-45-30-20-12-13-21-31(30)46-34/h3-21,30,32-33,37-38,41,49-50H,22-26H2,1-2H3,(H,43,51)(H,44,53)(H,47,54)(H,48,52)
chemicalCompound:standardIn...	BUNVLNPHIPXGCT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)SC(NC1C(=O)NC(Cc2ccccc2)C(O)CC(=O)NCC3=NC4C=CC=CC4=N3)C(NC(=O)Cc5ccccc5)C(=O)NCc6ccccc6
chemicalCompound:molecularF...	C42 H47 N7 O5 S
chemicalCompound:moleculeId	117938
chemicalCompound:mwFreebase	761.931
chemicalCompound:alogp	2.492
chemicalCompound:hba	9
chemicalCompound:hbd	6
chemicalCompound:psa	198.67
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.684
chemicalCompound:acdLogP	5.438
chemicalCompound:acdLogD	5.426
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	761.931
chemicalCompound:acdMostBpk...	5.811
chemicalCompound:chemblId	CHEMBL312540
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:217938
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:1269850