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Sources
9772
Source:
http://linkedlifedata.com/resource/chembl/compound/9772
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Subject
Predicate
Object
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(
34
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:9772
chemicalCompound:standardIn...
InChI=1S/C13H15N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h2-5,10,14H,1,6-8H2,(H,15,17)
lld:chembl
chemicalCompound:9772
chemicalCompound:standardIn...
LTMRVOPZSPNZHU-UHFFFAOYSA-N
lld:chembl
chemicalCompound:9772
chemicalCompound:canonicalS...
Oc1nc2cccc3CC(Cn1c23)NCC=C
lld:chembl
chemicalCompound:9772
chemicalCompound:molecularF...
C13 H15 N3 O
lld:chembl
chemicalCompound:9772
chemicalCompound:moleculeId
9772
lld:chembl
chemicalCompound:9772
chemicalCompound:mwFreebase
229.278
lld:chembl
chemicalCompound:9772
chemicalCompound:alogp
2.174
lld:chembl
chemicalCompound:9772
chemicalCompound:hba
3
lld:chembl
chemicalCompound:9772
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:9772
chemicalCompound:psa
50.08
lld:chembl
chemicalCompound:9772
chemicalCompound:rtb
3
lld:chembl
chemicalCompound:9772
chemicalCompound:ro3Pass
Y
lld:chembl
chemicalCompound:9772
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:9772
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:9772
chemicalCompound:acdMostApk...
0.942
lld:chembl
chemicalCompound:9772
chemicalCompound:acdLogP
2.204
lld:chembl
chemicalCompound:9772
chemicalCompound:acdLogD
-0.689
lld:chembl
chemicalCompound:9772
chemicalCompound:molecularS...
molecularSpecies:ZWITTERION
lld:chembl
chemicalCompound:9772
chemicalCompound:fullMwt
229.278
lld:chembl
chemicalCompound:9772
chemicalCompound:acdMostBpk...
9.008
lld:chembl
chemicalCompound:9772
chemicalCompound:chemblId
CHEMBL12041
lld:chembl
chemicalCompound:9772
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:9772
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:9772
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:9772
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:9772
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:9772
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:9772
chemicalCompound:oral
No
lld:chembl
chemicalCompound:9772
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:9772
chemicalCompound:topical
No
lld:chembl
chemicalCompound:9772
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:9772
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:9772
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:676361
chemicalCompound:parent
chemicalCompound:9772
lld:chembl