428884

Source:http://linkedlifedata.com/resource/chembl/compound/428884

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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/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
chemicalCompound:standardIn...	PPDLAUCFAOODER-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NNC(=O)c1[nH]c2ccc(cc2c1c3ccccc3)S(=O)(=O)N
chemicalCompound:molecularF...	C15H14N4O3S
chemicalCompound:moleculeId	428884
chemicalCompound:mwFreebase	330.362
chemicalCompound:alogp	1.148
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	139.45
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.113
chemicalCompound:acdLogP	0.025
chemicalCompound:acdLogD	0.024
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.362
chemicalCompound:acdMostBpk...	2.856
chemicalCompound:chemblId	CHEMBL262628
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:528884
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:2088472, activity:2088473, activity:2088474, activity:2088475, activity:2088476, activity:2088477, activity:2088478, activity:2088479, activity:2088480, activity:2088481, activity:2088482, activity:2088483, activity:2159040, activity:2159041, activity:2159042, activity:2159053, activity:2159064, activity:2159070, activity:2159076, activity:2159087, activity:2159093, activity:2159099, activity:2159105, activity:2159111, activity:2250716, activity:2250717, activity:2250718, activity:2250719, activity:2250720, activity:2250721, activity:2250722, activity:2250723, activity:2250724, activity:2250725, activity:2250726, activity:2250727, activity:2287497, activity:2287502, activity:2287507, activity:2287512, activity:2287517, activity:2287522, activity:2287527, activity:2287532, activity:2287537, activity:2287542, activity:2287547, activity:2287552, activity:2287557, activity:2411066, activity:2411083, activity:2468284, activity:2468294, activity:2468305, activity:2468322, activity:2468335, activity:2468350, activity:2468365, activity:2468380, activity:2468395, activity:2468410, activity:2468425, activity:2468440, activity:2468455, activity:2639058, activity:2639059