371689

Source:http://linkedlifedata.com/resource/chembl/compound/371689

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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/C11H12FN5O2/c12-7-2-6(1-5(7)3-18)17-4-14-8-9(17)15-11(13)16-10(8)19/h2,4-6,18H,1,3H2,(H3,13,15,16,19)/t5-,6+/m0/s1
chemicalCompound:standardIn...	YJIZOGTWZXHBID-NTSWFWBYSA-N
chemicalCompound:canonicalS...	NC1=Nc2c(ncn2[C@@H]3C[C@@H](CO)C(=C3)F)C(=O)N1
chemicalCompound:molecularF...	C11 H12 F N5 O2
chemicalCompound:moleculeId	371689
chemicalCompound:mwFreebase	265.244
chemicalCompound:alogp	-0.769
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	105.52
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.644
chemicalCompound:acdLogP	-0.477
chemicalCompound:acdLogD	-0.479
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	265.244
chemicalCompound:acdMostBpk...	2.653
chemicalCompound:chemblId	CHEMBL222764
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:471689
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:1826854, activity:1830473, activity:1830487, activity:1830531, activity:1830532, activity:1830591, activity:1830632, activity:1830634, activity:1830635, activity:1830636