298832

Source:http://linkedlifedata.com/resource/chembl/compound/298832

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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/C20H23N3O4S/c1-4-23(5-2)28(24,25)16-11-12-18(26-3)17(13-16)22-20-21-14-19(27-20)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,21,22)
chemicalCompound:standardIn...	IXAUVBHKVRFJHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2oc(cn2)c3ccccc3)c1
chemicalCompound:molecularF...	C20H23N3O4S
chemicalCompound:moleculeId	298832
chemicalCompound:mwFreebase	401.479
chemicalCompound:alogp	3.427
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	93.05
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.085
chemicalCompound:acdLogD	4.085
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.479
chemicalCompound:acdMostBpk...	2.56
chemicalCompound:chemblId	CHEMBL275473
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:398832
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:1414225, activity:1414226, activity:8102461, activity:8102462, activity:8102463, activity:8102464, activity:8102465, activity:8102466, activity:8102467, activity:8102468, activity:8102469, activity:8102470, activity:8102471, activity:8102472, activity:8102473, activity:8102474, activity:8102475, activity:8102476, activity:8102477, activity:8102478, activity:8102479, activity:8102480, activity:8102481, activity:8102482, activity:8102483, activity:8102484, activity:8102485, activity:8102486, activity:8102487, activity:8102488, activity:8102489, activity:8102490, activity:8102491, activity:8102492, activity:8102493, activity:8102494, activity:8102495, activity:8102496, activity:8102497, activity:8102498, activity:8102499, activity:8102500, activity:8102501, activity:8102502, activity:8102503, activity:8102504, activity:8102505, activity:8102506, activity:8102507, activity:8102508, activity:8102509, activity:8102510, activity:8102511, activity:8102512, activity:8102513, activity:8102514, activity:8102515, activity:8102516, activity:8102517, activity:8102518, activity:8102519, activity:8102520, activity:8102521, activity:8102522, activity:8102523, activity:8102524, activity:8102525