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209594
Source:
http://linkedlifedata.com/resource/chembl/compound/209594
Search
Subject
(
52
)
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:synonym
synonym:209594_Benoxinate_FDA_ALTERNATIVE_NAME
chemicalCompound:standardIn...
InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3
chemicalCompound:standardIn...
CMHHMUWAYWTMGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC
chemicalCompound:molecularF...
C17 H28 N2 O3
chemicalCompound:moleculeId
209594
chemicalCompound:mwFreebase
308.416
chemicalCompound:alogp
3.087
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
64.79
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
4.496
chemicalCompound:acdLogD
2.713
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
308.416
chemicalCompound:acdMostBpk...
9.159
chemicalCompound:chemblId
CHEMBL1200
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:309594
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
Yes
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
BENOXINATE
chemicalCompound:chebiParen...
https://linkedlifedata.com/resource/chebi/id/CHEBI:309594
chemicalCompound:activity
activity:345626
,
activity:345627
,
activity:1505016
,
activity:3939348
,
activity:4129033
,
activity:4398474
,
activity:4520855
,
activity:4635120
,
activity:4711351
,
activity:4949877
,
activity:6002270
,
activity:6006077
,
activity:6006666
,
activity:6009214
,
activity:6047208
,
activity:6697247