21215

Source:http://linkedlifedata.com/resource/chembl/compound/21215

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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/C14H12FN5O/c15-10-3-1-9(2-4-10)7-20-12-11(17-8-18-12)13(21)19-6-5-16-14(19)20/h1-4,8H,5-7H2,(H,17,18)
chemicalCompound:standardIn...	FZILCMWUZIZPJM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(CN2C3=NCCN3C(=O)c4[nH]cnc24)cc1
chemicalCompound:molecularF...	C14 H12 F N5 O
chemicalCompound:moleculeId	21215
chemicalCompound:mwFreebase	285.276
chemicalCompound:alogp	1.562
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	64.59
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.219
chemicalCompound:acdLogP	1.102
chemicalCompound:acdLogD	1.102
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.276
chemicalCompound:acdMostBpk...	2.234
chemicalCompound:chemblId	CHEMBL18799
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121215
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:57822