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631041
Source:
http://linkedlifedata.com/resource/chembl/compound/631041
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Subject
Predicate
Object
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(
35
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:631041
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:631041
chemicalCompound:standardIn...
InChI=1S/C19H13F3N6OS/c1-18(2)16(29)27(14-6-3-11(10-23)15(9-14)19(20,21)22)17(30)28(18)13-7-4-12(5-8-13)25-26-24/h3-9H,1-2H3
lld:chembl
chemicalCompound:631041
chemicalCompound:standardIn...
IZRCHGAEVRCMKJ-UHFFFAOYSA-N
lld:chembl
chemicalCompound:631041
chemicalCompound:canonicalS...
CC1(C)N(C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F)c3ccc(cc3)N=[N+]=[N-]
lld:chembl
chemicalCompound:631041
chemicalCompound:molecularF...
C19H13F3N6OS
lld:chembl
chemicalCompound:631041
chemicalCompound:moleculeId
631041
lld:chembl
chemicalCompound:631041
chemicalCompound:mwFreebase
430.406
lld:chembl
chemicalCompound:631041
chemicalCompound:alogp
6.231
lld:chembl
chemicalCompound:631041
chemicalCompound:hba
5
lld:chembl
chemicalCompound:631041
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:631041
chemicalCompound:psa
129.17
lld:chembl
chemicalCompound:631041
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:631041
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:631041
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:631041
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:631041
chemicalCompound:acdLogP
4.583
lld:chembl
chemicalCompound:631041
chemicalCompound:acdLogD
4.583
lld:chembl
chemicalCompound:631041
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:631041
chemicalCompound:fullMwt
430.406
lld:chembl
chemicalCompound:631041
chemicalCompound:chemblId
CHEMBL1085212
lld:chembl
chemicalCompound:631041
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:631041
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:631041
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:631041
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:631041
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:631041
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:631041
chemicalCompound:oral
No
lld:chembl
chemicalCompound:631041
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:631041
chemicalCompound:topical
No
lld:chembl
chemicalCompound:631041
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:631041
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:631041
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:631041
chemicalCompound:activity
activity:3302310
lld:chembl
chemicalCompound:631041
chemicalCompound:activity
activity:3302320
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:631041
lld:chembl