496980

Source:http://linkedlifedata.com/resource/chembl/compound/496980

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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/C24H24F2N2O2S/c1-13(21-19(25)5-4-6-20(21)26)22-14(2)23(29)28-24(27-22)31-12-16-11-18(16)15-7-9-17(30-3)10-8-15/h4-10,13,16,18H,11-12H2,1-3H3,(H,27,28,29)/t13-,16+,18+/m0/s1
chemicalCompound:standardIn...	HXYXHOWEKCGYDL-FDQGKXFDSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@H]2C[C@@H]2CSC3=NC(=C(C)C(=O)N3)[C@@H](C)c4c(F)cccc4F
chemicalCompound:molecularF...	C24H24F2N2O2S
chemicalCompound:moleculeId	496980
chemicalCompound:mwFreebase	442.521
chemicalCompound:alogp	5.788
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	75.98
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	7.633
chemicalCompound:acdLogP	5.591
chemicalCompound:acdLogD	5.393
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.521
chemicalCompound:acdMostBpk...	0.507
chemicalCompound:chemblId	CHEMBL478469
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:596980
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:2502532, activity:2502541, activity:2502548, activity:2502560, activity:2502567, activity:2502573, activity:2502580, activity:2502586