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1294180
Source:
http://linkedlifedata.com/resource/chembl/compound/1294180
Search
Subject
(
92
)
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/C11H18N4O2/c12-9(13)8-6-15(11(17)14-10(8)16)7-4-2-1-3-5-7/h7,16H,1-6H2,(H3,12,13)(H,14,17)
chemicalCompound:standardIn...
DWYCTTPZFDNRMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...
NC(=N)C1=C(O)NC(=O)N(C1)C2CCCCC2
chemicalCompound:molecularF...
C11H18N4O2
chemicalCompound:moleculeId
1294180
chemicalCompound:mwFreebase
238.286
chemicalCompound:alogp
0.644
chemicalCompound:hba
3
chemicalCompound:hbd
4
chemicalCompound:psa
102.44
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
9.451
chemicalCompound:acdLogP
1.119
chemicalCompound:acdLogD
-0.88
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
238.286
chemicalCompound:acdMostBpk...
13.3
chemicalCompound:chemblId
CHEMBL1972889
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1394180
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:8232805
,
activity:8353765
,
activity:8364443
,
activity:8387655
,
activity:8451753
,
activity:8476179
,
activity:8561050
,
activity:8625919
,
activity:8641827
,
activity:8708999
,
activity:8710843
,
activity:8746598
,
activity:8758008
,
activity:8850725
,
activity:8881840
,
activity:8949843
,
activity:8986960
,
activity:9034051
,
activity:9054413
,
activity:9122166
,
activity:9146611
,
activity:9166658
,
activity:9168687
,
activity:9272559
,
activity:9275091
,
activity:9339205
,
activity:9408850
,
activity:9415600
,
activity:9492056
,
activity:9494581
,
activity:9660631
,
activity:9663125
,
activity:9699331
,
activity:9741583
,
activity:9835110
,
activity:9846205
,
activity:9879370
,
activity:9913245
,
activity:10060124
,
activity:10097249
,
activity:10109040
,
activity:10150919
,
activity:10237368
,
activity:10261753
,
activity:10356210
,
activity:10383896
,
activity:10430375
,
activity:10443884
,
activity:10481432
,
activity:10506164
,
activity:10568120
,
activity:10574857
,
activity:10659342
,
activity:10661087
,
activity:10683364
,
activity:10760800
,
activity:10780821
,
activity:10817128