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631040
Source:
http://linkedlifedata.com/resource/chembl/compound/631040
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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:631040
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:631040
chemicalCompound:standardIn...
InChI=1S/C19H21F3N6OS/c1-18(2)16(29)28(14-8-7-13(12-23)15(11-14)19(20,21)22)17(30)27(18)10-6-4-3-5-9-25-26-24/h7-8,11H,3-6,9-10H2,1-2H3
lld:chembl
chemicalCompound:631040
chemicalCompound:standardIn...
NZPLDQDYXZYGHN-UHFFFAOYSA-N
lld:chembl
chemicalCompound:631040
chemicalCompound:canonicalS...
CC1(C)N(CCCCCCN=[N+]=[N-])C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F
lld:chembl
chemicalCompound:631040
chemicalCompound:molecularF...
C19H21F3N6OS
lld:chembl
chemicalCompound:631040
chemicalCompound:moleculeId
631040
lld:chembl
chemicalCompound:631040
chemicalCompound:mwFreebase
438.47
lld:chembl
chemicalCompound:631040
chemicalCompound:alogp
6.186
lld:chembl
chemicalCompound:631040
chemicalCompound:hba
5
lld:chembl
chemicalCompound:631040
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:631040
chemicalCompound:psa
129.18
lld:chembl
chemicalCompound:631040
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:631040
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:631040
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:631040
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:631040
chemicalCompound:acdLogP
4.455
lld:chembl
chemicalCompound:631040
chemicalCompound:acdLogD
4.455
lld:chembl
chemicalCompound:631040
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:631040
chemicalCompound:fullMwt
438.47
lld:chembl
chemicalCompound:631040
chemicalCompound:acdMostBpk...
0.265
lld:chembl
chemicalCompound:631040
chemicalCompound:chemblId
CHEMBL1085882
lld:chembl
chemicalCompound:631040
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:631040
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:631040
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:631040
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:631040
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:631040
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:631040
chemicalCompound:oral
No
lld:chembl
chemicalCompound:631040
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:631040
chemicalCompound:topical
No
lld:chembl
chemicalCompound:631040
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:631040
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:631040
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:631040
chemicalCompound:activity
activity:3302312
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:631040
lld:chembl