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Sources
1286271
Source:
http://linkedlifedata.com/resource/chembl/compound/1286271
Search
Subject
(
87
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:standardIn...
InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-10-14(19)13-17(22)18-15(20)11-9-12-16(18)21/h9,11-12,20-21H,2-8,10,13H2,1H3
chemicalCompound:standardIn...
AUHAWSBUTWMGGC-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCCCCCCCC(=O)CC(=O)c1c(O)cccc1O
chemicalCompound:molecularF...
C18H26O4
chemicalCompound:moleculeId
1286271
chemicalCompound:mwFreebase
306.397
chemicalCompound:alogp
4.857
chemicalCompound:hba
4
chemicalCompound:hbd
2
chemicalCompound:psa
74.59
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
7.14
chemicalCompound:acdLogP
6.244
chemicalCompound:acdLogD
6.044
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
306.397
chemicalCompound:chemblId
CHEMBL1964980
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1386271
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:8276203
,
activity:8326001
,
activity:8345495
,
activity:8426400
,
activity:8470711
,
activity:8551150
,
activity:8598715
,
activity:8631995
,
activity:8727895
,
activity:8730412
,
activity:8831760
,
activity:8883429
,
activity:8934406
,
activity:8946967
,
activity:8997664
,
activity:9029084
,
activity:9127854
,
activity:9154769
,
activity:9215143
,
activity:9247727
,
activity:9263109
,
activity:9316408
,
activity:9323292
,
activity:9324066
,
activity:9397203
,
activity:9469449
,
activity:9480643
,
activity:9635019
,
activity:9653579
,
activity:9736425
,
activity:9742443
,
activity:9821606
,
activity:9847833
,
activity:9923578
,
activity:9951958
,
activity:10088093
,
activity:10091444
,
activity:10110923
,
activity:10132407
,
activity:10205774
,
activity:10243620
,
activity:10282699
,
activity:10394540
,
activity:10399648
,
activity:10492902
,
activity:10524395
,
activity:10552597
,
activity:10555031
,
activity:10628361
,
activity:10651633
,
activity:10680608
,
activity:10735234
,
activity:10753677
,
activity:10818277