675112

Source:http://linkedlifedata.com/resource/chembl/compound/675112

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1148
chemicalCompound:synonym	synonym:675112_Mafenide Acetate_JAN
chemicalCompound:standardIn...	InChI=1S/C7H10N2O2S.C2H4O2/c8-5-6-1-3-7(4-2-6)12(9,10)11;1-2(3)4/h1-4H,5,8H2,(H2,9,10,11);1H3,(H,3,4)
chemicalCompound:standardIn...	UILOTUUZKGTYFQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)O.NCc1ccc(cc1)S(=O)(=O)N
chemicalCompound:molecularF...	C9H14N2O4S
chemicalCompound:moleculeId	675112
chemicalCompound:mwFreebase	186.232
chemicalCompound:alogp	-0.359
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	94.55
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.157
chemicalCompound:acdLogP	-0.384
chemicalCompound:acdLogD	-1.521
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	246.283
chemicalCompound:acdMostBpk...	8.52
chemicalCompound:chemblId	CHEMBL1201161
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775112
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	MAFENIDE ACETATE
chemicalCompound:activity	activity:3723274, activity:3890965, activity:4308795, activity:6620253, activity:7831477, activity:7831478, activity:7831479, activity:7831480, activity:7831481, activity:7831482, activity:7831483, activity:7831484, activity:7831485, activity:7831486, activity:7831487, activity:7831488, activity:7831489, activity:7831490