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1051302
Source:
http://linkedlifedata.com/resource/chembl/compound/1051302
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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:1051302
chemicalCompound:parent
chemicalCompound:1120054
lld:chembl
chemicalCompound:1051302
chemicalCompound:standardIn...
InChI=1S/2C7H9NO/c2*1-8-6-2-4-7(9)5-3-6/h2*2-5,8-9H,1H3
lld:chembl
chemicalCompound:1051302
chemicalCompound:standardIn...
CGCCPBDOKDFPEL-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1051302
chemicalCompound:canonicalS...
CNc1ccc(O)cc1.CNc2ccc(O)cc2
lld:chembl
chemicalCompound:1051302
chemicalCompound:molecularF...
C14H18N2O2
lld:chembl
chemicalCompound:1051302
chemicalCompound:moleculeId
1051302
lld:chembl
chemicalCompound:1051302
chemicalCompound:mwFreebase
123.152
lld:chembl
chemicalCompound:1051302
chemicalCompound:alogp
1.396
lld:chembl
chemicalCompound:1051302
chemicalCompound:hba
2
lld:chembl
chemicalCompound:1051302
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:1051302
chemicalCompound:psa
32.26
lld:chembl
chemicalCompound:1051302
chemicalCompound:rtb
1
lld:chembl
chemicalCompound:1051302
chemicalCompound:ro3Pass
Y
lld:chembl
chemicalCompound:1051302
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1051302
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1051302
chemicalCompound:acdMostApk...
11.315
lld:chembl
chemicalCompound:1051302
chemicalCompound:acdLogP
1.075
lld:chembl
chemicalCompound:1051302
chemicalCompound:acdLogD
1.069
lld:chembl
chemicalCompound:1051302
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:1051302
chemicalCompound:fullMwt
246.305
lld:chembl
chemicalCompound:1051302
chemicalCompound:acdMostBpk...
5.908
lld:chembl
chemicalCompound:1051302
chemicalCompound:chemblId
CHEMBL1628411
lld:chembl
chemicalCompound:1051302
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1051302
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1051302
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1051302
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1051302
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1051302
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1051302
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1051302
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1051302
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1051302
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1051302
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1051302
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:727023
chemicalCompound:parent
chemicalCompound:1051302
lld:chembl