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54697
Source:
http://linkedlifedata.com/resource/chembl/compound/54697
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Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:54697
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:54697
chemicalCompound:standardIn...
InChI=1S/C24H26N2O3/c1-23(2)9-10-24(3,4)17-12-20-19(11-16(17)23)25-18(13-21(27)26-20)14-5-7-15(8-6-14)22(28)29/h5-8,11-12H,9-10,13H2,1-4H3,(H,26,27)(H,28,29)
lld:chembl
chemicalCompound:54697
chemicalCompound:standardIn...
GHONRQFRPICBLA-UHFFFAOYSA-N
lld:chembl
chemicalCompound:54697
chemicalCompound:canonicalS...
CC1(C)CCC(C)(C)c2cc3N=C(CC(=O)Nc3cc12)c4ccc(cc4)C(=O)O
lld:chembl
chemicalCompound:54697
chemicalCompound:molecularF...
C24 H26 N2 O3
lld:chembl
chemicalCompound:54697
chemicalCompound:moleculeId
54697
lld:chembl
chemicalCompound:54697
chemicalCompound:mwFreebase
390.475
lld:chembl
chemicalCompound:54697
chemicalCompound:alogp
4.601
lld:chembl
chemicalCompound:54697
chemicalCompound:hba
4
lld:chembl
chemicalCompound:54697
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:54697
chemicalCompound:psa
78.76
lld:chembl
chemicalCompound:54697
chemicalCompound:rtb
2
lld:chembl
chemicalCompound:54697
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:54697
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:54697
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:54697
chemicalCompound:acdMostApk...
3.132
lld:chembl
chemicalCompound:54697
chemicalCompound:acdLogP
4.011
lld:chembl
chemicalCompound:54697
chemicalCompound:acdLogD
1
lld:chembl
chemicalCompound:54697
chemicalCompound:molecularS...
molecularSpecies:ACID
lld:chembl
chemicalCompound:54697
chemicalCompound:fullMwt
390.475
lld:chembl
chemicalCompound:54697
chemicalCompound:acdMostBpk...
3.982
lld:chembl
chemicalCompound:54697
chemicalCompound:chemblId
CHEMBL40174
lld:chembl
chemicalCompound:54697
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:54697
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:54697
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:54697
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:54697
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:54697
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:54697
chemicalCompound:oral
No
lld:chembl
chemicalCompound:54697
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:54697
chemicalCompound:topical
No
lld:chembl
chemicalCompound:54697
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:54697
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:54697
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:54697
chemicalCompound:activity
activity:528149
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:54697
lld:chembl