96276

Source:http://linkedlifedata.com/resource/chembl/compound/96276

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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/C19H18N2O5S/c22-18-16-11-15(8-9-17(16)20-19(18)23)27(24,25)21-10-4-5-13(21)12-26-14-6-2-1-3-7-14/h1-3,6-9,11,13H,4-5,10,12H2,(H,20,22,23)/t13-/m0/s1
chemicalCompound:standardIn...	QKVWMYQCBWNCQH-ZDUSSCGKSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CCC[C@H]3COc4ccccc4
chemicalCompound:molecularF...	C19H18N2O5S
chemicalCompound:moleculeId	96276
chemicalCompound:mwFreebase	386.422
chemicalCompound:alogp	1.909
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	101.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.654
chemicalCompound:acdLogP	3.172
chemicalCompound:acdLogD	3.148
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.422
chemicalCompound:chemblId	CHEMBL62993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:196276
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:351599, activity:351600, activity:351601, activity:351602, activity:351603, activity:351604, activity:351605, activity:351606, activity:351607, activity:351608, activity:351609, activity:351610, activity:1656559, activity:1656586, activity:1656613, activity:1656640, activity:1656667, activity:1778214, activity:1778233, activity:1778252, activity:1778271, activity:1778289, activity:1778308, activity:2624085, activity:2624086, activity:2624087, activity:2624088, activity:2702700, activity:2702725, activity:5238720, activity:6150992