630438

Source:http://linkedlifedata.com/resource/chembl/compound/630438

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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:114105
chemicalCompound:standardIn...	InChI=1S/C12H14N2.2F6P/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;21-7(2,3,4,5)6/h3-10H,1-2H3;;/q+2;2-1
chemicalCompound:standardIn...	LHYVJHYTMWDUFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[n+]1ccc(cc1)c2cc[n+](C)cc2.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
chemicalCompound:molecularF...	C12H14F12N2P2
chemicalCompound:moleculeId	630438
chemicalCompound:mwFreebase	186.253
chemicalCompound:alogp	2.557
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	7.76
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.562
chemicalCompound:acdLogD	-2.562
chemicalCompound:fullMwt	476.181
chemicalCompound:chemblId	CHEMBL1083992
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:730438
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:3303521, activity:3303546, activity:3303571, activity:3303596, activity:3303621, activity:3304479