218257

Source:http://linkedlifedata.com/resource/chembl/compound/218257

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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/C17H15FN2OS2/c18-13-1-2-14-15(7-13)23-16(8-20-5-4-19-11-20)17(14)21-9-12-3-6-22-10-12/h1-7,10-11,16-17H,8-9H2/t16-,17-/m1/s1
chemicalCompound:standardIn...	RHGKIGYCKIEYHG-IAGOWNOFSA-N
chemicalCompound:canonicalS...	Fc1ccc2[C@@H](OCc3ccsc3)[C@@H](Cn4ccnc4)Sc2c1
chemicalCompound:molecularF...	C17 H15 F N2 O S2
chemicalCompound:moleculeId	218257
chemicalCompound:mwFreebase	346.442
chemicalCompound:alogp	3.244
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	80.59
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.186
chemicalCompound:acdLogD	4.104
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	346.442
chemicalCompound:acdMostBpk...	6.722
chemicalCompound:chemblId	CHEMBL334781
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:318257
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:654065, activity:654066