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Sources
931437
Source:
http://linkedlifedata.com/resource/chembl/compound/931437
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Subject
(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C19H21FN6O3/c1-22-17-16(18(28)23(2)19(22)29)26(12-21-17)11-15(27)25-9-7-24(8-10-25)14-5-3-13(20)4-6-14/h3-6,12H,7-11H2,1-2H3
chemicalCompound:standardIn...
VVSXECXRCGPLHP-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN1C(=O)N(C)c2ncn(CC(=O)N3CCN(CC3)c4ccc(F)cc4)c2C1=O
chemicalCompound:molecularF...
C19H21FN6O3
chemicalCompound:moleculeId
931437
chemicalCompound:mwFreebase
400.407
chemicalCompound:alogp
1
chemicalCompound:hba
5
chemicalCompound:hbd
0
chemicalCompound:psa
81.99
chemicalCompound:rtb
3
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
0.848
chemicalCompound:acdLogD
0.848
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
400.407
chemicalCompound:acdMostBpk...
2.873
chemicalCompound:chemblId
CHEMBL1507553
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1031437
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:3852323
,
activity:4681392
,
activity:4872211
,
activity:6913265