687526

Source:http://linkedlifedata.com/resource/chembl/compound/687526

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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/C17H19FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6-7,9H,2-5,8,19H2,1H3,(H,24,25)/t9-/m0/s1
chemicalCompound:standardIn...	ICQVSZFWVUBYSI-VIFPVBQESA-N
chemicalCompound:canonicalS...	C[C@H]1COc2c(N3CCN(N)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
chemicalCompound:molecularF...	C17H19FN4O4
chemicalCompound:moleculeId	687526
chemicalCompound:mwFreebase	362.356
chemicalCompound:alogp	0.562
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	99.34
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.192
chemicalCompound:acdLogP	0.791
chemicalCompound:acdLogD	-1.388
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	362.356
chemicalCompound:acdMostBpk...	6.731
chemicalCompound:chemblId	CHEMBL1215659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:787526
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:3406627, activity:3406628, activity:3406629, activity:3406630, activity:3406631, activity:3406632, activity:3406633, activity:3406634