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254139
Source:
http://linkedlifedata.com/resource/chembl/compound/254139
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Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:254139
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:254139
chemicalCompound:standardIn...
InChI=1S/C21H22N4O4/c1-24(17-7-4-14(5-8-17)20(22)23)21(29)15-3-2-13-6-9-18(26)25(12-19(27)28)11-16(13)10-15/h2-5,7-8,10H,6,9,11-12H2,1H3,(H3,22,23)(H,27,28)
lld:chembl
chemicalCompound:254139
chemicalCompound:standardIn...
HZETWVPJEXIPLV-UHFFFAOYSA-N
lld:chembl
chemicalCompound:254139
chemicalCompound:canonicalS...
CN(C(=O)c1ccc2CCC(=O)N(CC(=O)O)Cc2c1)c3ccc(cc3)C(=N)N
lld:chembl
chemicalCompound:254139
chemicalCompound:molecularF...
C21 H22 N4 O4
lld:chembl
chemicalCompound:254139
chemicalCompound:moleculeId
254139
lld:chembl
chemicalCompound:254139
chemicalCompound:mwFreebase
394.424
lld:chembl
chemicalCompound:254139
chemicalCompound:alogp
1.017
lld:chembl
chemicalCompound:254139
chemicalCompound:hba
5
lld:chembl
chemicalCompound:254139
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:254139
chemicalCompound:psa
127.79
lld:chembl
chemicalCompound:254139
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:254139
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:254139
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:254139
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:254139
chemicalCompound:acdMostApk...
3.718
lld:chembl
chemicalCompound:254139
chemicalCompound:acdLogP
2.499
lld:chembl
chemicalCompound:254139
chemicalCompound:acdLogD
0
lld:chembl
chemicalCompound:254139
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
lld:chembl
chemicalCompound:254139
chemicalCompound:fullMwt
394.424
lld:chembl
chemicalCompound:254139
chemicalCompound:acdMostBpk...
11.889
lld:chembl
chemicalCompound:254139
chemicalCompound:chemblId
CHEMBL358645
lld:chembl
chemicalCompound:254139
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:254139
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:254139
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:254139
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:254139
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:254139
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:254139
chemicalCompound:oral
No
lld:chembl
chemicalCompound:254139
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:254139
chemicalCompound:topical
No
lld:chembl
chemicalCompound:254139
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:254139
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:254139
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:254139
chemicalCompound:activity
activity:1089123
lld:chembl
chemicalCompound:254139
chemicalCompound:activity
activity:1089124
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:254139
lld:chembl