417874

Source:http://linkedlifedata.com/resource/chembl/compound/417874

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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/C36H49N5O3S/c1-24-19-25(2)21-26(20-24)33-29(9-10-38-11-13-39(14-12-38)23-32(42)40-15-17-44-18-16-40)30-22-31(45-34(30)37-33)36(3,4)35(43)41-27-5-6-28(41)8-7-27/h19-22,27-28,37H,5-18,23H2,1-4H3
chemicalCompound:standardIn...	MUIOMNHOLFGIGK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(C)cc(c1)c2[nH]c3sc(cc3c2CCN4CCN(CC(=O)N5CCOCC5)CC4)C(C)(C)C(=O)N6C7CCC6CC7
chemicalCompound:molecularF...	C36 H49 N5 O3 S
chemicalCompound:moleculeId	417874
chemicalCompound:mwFreebase	631.871
chemicalCompound:alogp	5.35
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.35
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.615
chemicalCompound:acdLogD	3.403
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.871
chemicalCompound:acdMostBpk...	7.206
chemicalCompound:chemblId	CHEMBL399772
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:517874
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:2052120, activity:2052129, activity:2052137, activity:2052145, activity:2052193, activity:2052194, activity:2052201