169196

Source:http://linkedlifedata.com/resource/chembl/compound/169196

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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/C18H18N4O3S/c1-26(24,25)22-14-4-2-3-12(9-14)13-7-8-15-16(10-13)20-21-17(15)19-18(23)11-5-6-11/h2-4,7-11,22H,5-6H2,1H3,(H2,19,20,21,23)
chemicalCompound:standardIn...	FUQAHBLEGDXXKS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)Nc1cccc(c1)c2ccc3c(NC(=O)C4CC4)n[nH]c3c2
chemicalCompound:molecularF...	C18H18N4O3S
chemicalCompound:moleculeId	169196
chemicalCompound:mwFreebase	370.426
chemicalCompound:alogp	2.32
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	112.33
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.251
chemicalCompound:acdLogP	2.501
chemicalCompound:acdLogD	2.422
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	370.426
chemicalCompound:acdMostBpk...	1.004
chemicalCompound:chemblId	CHEMBL103080
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:269196
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:124142, activity:124143, activity:8083418, activity:8083419, activity:8083420, activity:8083421, activity:8083422, activity:8083423, activity:8083424, activity:8083425, activity:8083426, activity:8083427, activity:8083428, activity:8083429, activity:8083430, activity:8083431, activity:8083432, activity:8083433, activity:8083434, activity:8083435, activity:8083436, activity:8083437, activity:8083438, activity:8083439, activity:8083440, activity:8083441, activity:8083442, activity:8083443, activity:8083444, activity:8083445, activity:8083446, activity:8083447, activity:8083448, activity:8083449, activity:8083450, activity:8083451, activity:8083452, activity:8083453, activity:8083454, activity:8083455, activity:8083456, activity:8083457, activity:8083458, activity:8083459, activity:8083460, activity:8083461, activity:8083462, activity:8083463, activity:8083464, activity:8083465, activity:8083466, activity:8083467, activity:8083468, activity:8083469, activity:8083470, activity:8083471, activity:8083472, activity:8083473, activity:8083474, activity:8083475, activity:8083476, activity:8083477, activity:8083478, activity:8083479, activity:8083480, activity:8083481