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Sources
1011987
Source:
http://linkedlifedata.com/resource/chembl/compound/1011987
Search
Subject
(
53
)
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/C16H15NO5/c1-9(18)13-8-14(16(20)22-10(13)2)17-15(19)11-4-6-12(21-3)7-5-11/h4-8H,1-3H3,(H,17,19)
chemicalCompound:standardIn...
NQSOSFGLMOMGKK-UHFFFAOYSA-N
chemicalCompound:canonicalS...
COc1ccc(cc1)C(=O)NC2=CC(=C(C)OC2=O)C(=O)C
chemicalCompound:molecularF...
C16H15NO5
chemicalCompound:moleculeId
1011987
chemicalCompound:mwFreebase
301.294
chemicalCompound:alogp
1
chemicalCompound:hba
5
chemicalCompound:hbd
1
chemicalCompound:psa
81.7
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
N
chemicalCompound:acdMostApk...
9.815
chemicalCompound:acdLogP
1.214
chemicalCompound:acdLogD
1.213
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
chemicalCompound:fullMwt
301.294
chemicalCompound:chemblId
CHEMBL1588103
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:1111987
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:3752014
,
activity:3957734
,
activity:4055224
,
activity:4102153
,
activity:4182862
,
activity:4335906
,
activity:4368069
,
activity:4401531
,
activity:4532837
,
activity:4888096
,
activity:4992086
,
activity:5551739
,
activity:5748574
,
activity:5938933
,
activity:6662261
,
activity:6788623
,
activity:7083673
,
activity:7383987
,
activity:7511563
,
activity:10594445