97354

Source:http://linkedlifedata.com/resource/chembl/compound/97354

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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/C20H21N3O4S/c1-22(14-6-3-2-4-7-14)13-15-8-5-11-23(15)28(26,27)16-9-10-18-17(12-16)19(24)20(25)21-18/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,24,25)
chemicalCompound:standardIn...	FQCPNKOAAITTSG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CC1CCCN1S(=O)(=O)c2ccc3NC(=O)C(=O)c3c2)c4ccccc4
chemicalCompound:molecularF...	C20 H21 N3 O4 S
chemicalCompound:moleculeId	97354
chemicalCompound:mwFreebase	399.463
chemicalCompound:alogp	2.088
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	95.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.667
chemicalCompound:acdLogP	3.37
chemicalCompound:acdLogD	3.345
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	399.463
chemicalCompound:acdMostBpk...	4.746
chemicalCompound:chemblId	CHEMBL62187
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:197354
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:356088, activity:356089, activity:356090, activity:356091, activity:356092, activity:356093, activity:356094, activity:356095, activity:356096, activity:356097, activity:356098, activity:2702692, activity:2702735