760559

Source:http://linkedlifedata.com/resource/chembl/compound/760559

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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/C18H16FN3O2S/c19-13-8-4-7-12(9-13)16(23)20-18(25)22-21-17(24)15-10-14(15)11-5-2-1-3-6-11/h1-9,14-15H,10H2,(H,21,24)(H2,20,22,23,25)/t14-,15+/m1/s1
chemicalCompound:standardIn...	SJVDXPHROZMURO-CABCVRRESA-N
chemicalCompound:canonicalS...	Fc1cccc(c1)C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c3ccccc3
chemicalCompound:molecularF...	C18H16FN3O2S
chemicalCompound:moleculeId	760559
chemicalCompound:mwFreebase	357.402
chemicalCompound:alogp	3.256
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	102.32
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.111
chemicalCompound:acdLogP	2.954
chemicalCompound:acdLogD	2.642
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.402
chemicalCompound:chemblId	CHEMBL1336675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:860559
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:3636260, activity:3768583, activity:4088530, activity:4105327, activity:4153213, activity:4257517, activity:4323527, activity:4324080, activity:4385737, activity:4404134, activity:4815039, activity:4945545, activity:5403899, activity:5531679, activity:5587191, activity:5702726, activity:5860718, activity:5882957, activity:5960310, activity:6430735, activity:6585898, activity:6726627, activity:7181115, activity:7370096