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690331
Source:
http://linkedlifedata.com/resource/chembl/compound/690331
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Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:690331
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:690331
chemicalCompound:standardIn...
InChI=1S/C23H22FN5O3/c1-14-11-28(13-26-14)19-8-3-15(10-21(19)32-2)9-18-22(31)29(23(25)27-18)20(12-30)16-4-6-17(24)7-5-16/h3-11,13,20,30H,12H2,1-2H3,(H2,25,27)/b18-9-/t20-/m1/s1
lld:chembl
chemicalCompound:690331
chemicalCompound:standardIn...
CZNFTZRVADOGMD-BFHGZXLWSA-N
lld:chembl
chemicalCompound:690331
chemicalCompound:canonicalS...
COc1cc(\C=C\2/N=C(N)N([C@H](CO)c3ccc(F)cc3)C2=O)ccc1n4cnc(C)c4
lld:chembl
chemicalCompound:690331
chemicalCompound:molecularF...
C23H22FN5O3
lld:chembl
chemicalCompound:690331
chemicalCompound:moleculeId
690331
lld:chembl
chemicalCompound:690331
chemicalCompound:mwFreebase
435.451
lld:chembl
chemicalCompound:690331
chemicalCompound:alogp
2.211
lld:chembl
chemicalCompound:690331
chemicalCompound:hba
6
lld:chembl
chemicalCompound:690331
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:690331
chemicalCompound:psa
105.97
lld:chembl
chemicalCompound:690331
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:690331
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:690331
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:690331
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:690331
chemicalCompound:acdLogP
1.977
lld:chembl
chemicalCompound:690331
chemicalCompound:acdLogD
1.971
lld:chembl
chemicalCompound:690331
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:690331
chemicalCompound:fullMwt
435.451
lld:chembl
chemicalCompound:690331
chemicalCompound:acdMostBpk...
5.538
lld:chembl
chemicalCompound:690331
chemicalCompound:chemblId
CHEMBL1223880
lld:chembl
chemicalCompound:690331
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:690331
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:690331
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:690331
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:690331
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:690331
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:690331
chemicalCompound:oral
No
lld:chembl
chemicalCompound:690331
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:690331
chemicalCompound:topical
No
lld:chembl
chemicalCompound:690331
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:690331
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:690331
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:690331
chemicalCompound:activity
activity:3413607
lld:chembl
chemicalCompound:690331
chemicalCompound:activity
activity:3413608
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:690331
lld:chembl