1018253

Source:http://linkedlifedata.com/resource/chembl/compound/1018253

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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/C19H18N2O4S/c1-4-25-19(24)14(9-12-6-5-7-13(22)8-12)16-20-17(23)15-10(2)11(3)26-18(15)21-16/h5-9,22H,4H2,1-3H3,(H,20,21,23)/b14-9-
chemicalCompound:standardIn...	TYTXXVXCVPIKPK-ZROIWOOFSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C(=C/c1cccc(O)c1)\c2nc(O)c3c(C)c(C)sc3n2
chemicalCompound:molecularF...	C19H18N2O4S
chemicalCompound:moleculeId	1018253
chemicalCompound:mwFreebase	370.422
chemicalCompound:alogp	4.051
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	120.78
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.646
chemicalCompound:acdLogP	4.309
chemicalCompound:acdLogD	1.79
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	370.422
chemicalCompound:chemblId	CHEMBL1594369
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118253
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:3634460, activity:3768893, activity:4011805, activity:4128146, activity:4197096, activity:4360008, activity:4469041, activity:4513358, activity:4537722, activity:4693381, activity:4807776, activity:4908562, activity:5348470, activity:5412911, activity:5436895, activity:5498206, activity:5504743, activity:5511687, activity:5535258, activity:5587648, activity:5698318, activity:5865115, activity:5875683, activity:6425621, activity:6570690, activity:6599918, activity:6756112, activity:6812269, activity:6873577, activity:7075071, activity:7139825, activity:7294216, activity:7348645, activity:7512428, activity:9791105, activity:9791591, activity:9987529, activity:10263271, activity:10433682