549565

Source:http://linkedlifedata.com/resource/chembl/compound/549565

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:660723
chemicalCompound:standardIn...	InChI=1S/C13H13F2N3O.ClH/c14-9-2-1-8(11(15)4-9)3-13(19)12(16)5-10-6-17-7-18-10;/h1-2,4,6-7,12H,3,5,16H2,(H,17,18);1H/t12-;/m0./s1
chemicalCompound:standardIn...	LCMURIKAVVVGIK-YDALLXLXSA-N
chemicalCompound:canonicalS...	Cl.N[C@@H](Cc1c[nH]cn1)C(=O)Cc2ccc(F)cc2F
chemicalCompound:molecularF...	C13H14ClF2N3O
chemicalCompound:moleculeId	549565
chemicalCompound:mwFreebase	265.259
chemicalCompound:alogp	1.113
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	71.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.855
chemicalCompound:acdLogD	0.585
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.72
chemicalCompound:acdMostBpk...	6.78
chemicalCompound:chemblId	CHEMBL556975
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:649565
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:1881929