369954

Source:http://linkedlifedata.com/resource/chembl/compound/369954

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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/C24H30BrN3O4S/c1-13(2)11-24(22(31)32)12-15(19(26)29)18(20-27-8-9-33-20)28(24)21(30)14-6-7-16(17(25)10-14)23(3,4)5/h6-10,13,15,18H,11-12H2,1-5H3,(H2,26,29)(H,31,32)/t15-,18+,24-/m0/s1
chemicalCompound:standardIn...	MEOJZNZUGOFERV-MBSHLRGSSA-N
chemicalCompound:canonicalS...	CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(c(Br)c2)C(C)(C)C)c3nccs3)C(=O)N)C(=O)O
chemicalCompound:molecularF...	C24 H30 Br N3 O4 S
chemicalCompound:moleculeId	369954
chemicalCompound:mwFreebase	536.482
chemicalCompound:alogp	4.073
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	141.82
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.635
chemicalCompound:acdLogP	3.863
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	536.482
chemicalCompound:acdMostBpk...	2.883
chemicalCompound:chemblId	CHEMBL375372
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:469954
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:1820158, activity:1820176, activity:1820188, activity:1820207, activity:1820214