77849

Source:http://linkedlifedata.com/resource/chembl/compound/77849

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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/C15H21N3O6S/c1-9(2)7-12(15(22)17-8-13(19)20)18-14(21)10-3-5-11(6-4-10)25(16,23)24/h3-6,9,12H,7-8H2,1-2H3,(H,17,22)(H,18,21)(H,19,20)(H2,16,23,24)/t12-/m0/s1
chemicalCompound:standardIn...	KUEQVISFZXOMNR-LBPRGKRZSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N)C(=O)NCC(=O)O
chemicalCompound:molecularF...	C15 H21 N3 O6 S
chemicalCompound:moleculeId	77849
chemicalCompound:mwFreebase	371.409
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	164.03
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.29
chemicalCompound:acdLogP	-0.468
chemicalCompound:acdLogD	-4.114
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	371.409
chemicalCompound:chemblId	CHEMBL51346
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177849
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:220296, activity:220297, activity:220298, activity:220299, activity:220300, activity:220301, activity:220302, activity:220303, activity:220304, activity:220305, activity:220306