115798

Source:http://linkedlifedata.com/resource/chembl/compound/115798

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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/C10H11BrN4O3S2/c1-10(2-19-9-12-3-13-14-9)5(8(17)18)15-6(16)4(11)7(15)20-10/h3-5,7H,2H2,1H3,(H,17,18)(H,12,13,14)/t4-,5+,7-,10+/m1/s1
chemicalCompound:standardIn...	DVGGIJLCNIHENJ-ASTPYSOASA-N
chemicalCompound:canonicalS...	C[C@@]1(CSc2nc[nH]n2)S[C@@H]3[C@H](Br)C(=O)N3[C@H]1C(=O)O
chemicalCompound:molecularF...	C10 H11 Br N4 O3 S2
chemicalCompound:moleculeId	115798
chemicalCompound:mwFreebase	379.253
chemicalCompound:alogp	1.164
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	149.78
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.412
chemicalCompound:acdLogP	4.699
chemicalCompound:acdLogD	0.97
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	379.253
chemicalCompound:acdMostBpk...	1.441
chemicalCompound:chemblId	CHEMBL305908
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:215798
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:339426, activity:339427, activity:339428, activity:339429, activity:339430, activity:339431, activity:339432, activity:339433, activity:339434, activity:339435