613489

Source:http://linkedlifedata.com/resource/chembl/compound/613489

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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/C15H14F3N3O2S/c16-15(17,18)10-3-1-2-4-11(10)23-9-5-6-21(8-9)14-20-7-12(24-14)13(19)22/h1-4,7,9H,5-6,8H2,(H2,19,22)/t9-/m1/s1
chemicalCompound:standardIn...	NDZZWAAUFMRWHJ-SECBINFHSA-N
chemicalCompound:canonicalS...	NC(=O)c1cnc(s1)N2CC[C@H](C2)Oc3ccccc3C(F)(F)F
chemicalCompound:molecularF...	C15H14F3N3O2S
chemicalCompound:moleculeId	613489
chemicalCompound:mwFreebase	357.351
chemicalCompound:alogp	2.767
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	96.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.484
chemicalCompound:acdLogD	1.484
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	357.351
chemicalCompound:acdMostBpk...	3.753
chemicalCompound:chemblId	CHEMBL1081256
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:713489
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:3191794, activity:3191795