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Sources
98
Source:
http://linkedlifedata.com/resource/chembl/compound/98
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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:98
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:98
chemicalCompound:standardIn...
InChI=1S/C21H25N5O5/c1-29-16-12-14-15(13-17(16)30-2)23-21(24-20(14)22)26-10-8-25(9-11-26)18(27)6-4-5-7-19(28)31-3/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)/b6-4+,7-5+
lld:chembl
chemicalCompound:98
chemicalCompound:standardIn...
LSWGVLAKCJCDNW-YDFGWWAZSA-N
lld:chembl
chemicalCompound:98
chemicalCompound:canonicalS...
COC(=O)\C=C\C=C\C(=O)N1CCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2
lld:chembl
chemicalCompound:98
chemicalCompound:molecularF...
C21 H25 N5 O5
lld:chembl
chemicalCompound:98
chemicalCompound:moleculeId
98
lld:chembl
chemicalCompound:98
chemicalCompound:mwFreebase
427.454
lld:chembl
chemicalCompound:98
chemicalCompound:alogp
1.364
lld:chembl
chemicalCompound:98
chemicalCompound:hba
9
lld:chembl
chemicalCompound:98
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:98
chemicalCompound:psa
120.11
lld:chembl
chemicalCompound:98
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:98
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:98
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:98
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:98
chemicalCompound:acdLogP
1.495
lld:chembl
chemicalCompound:98
chemicalCompound:acdLogD
1.442
lld:chembl
chemicalCompound:98
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:98
chemicalCompound:fullMwt
427.454
lld:chembl
chemicalCompound:98
chemicalCompound:acdMostBpk...
6.523
lld:chembl
chemicalCompound:98
chemicalCompound:chemblId
CHEMBL6306
lld:chembl
chemicalCompound:98
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:98
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:98
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:98
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:98
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:98
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:98
chemicalCompound:oral
No
lld:chembl
chemicalCompound:98
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:98
chemicalCompound:topical
No
lld:chembl
chemicalCompound:98
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:98
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:98
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:98
chemicalCompound:activity
activity:313345
lld:chembl
chemicalCompound:98
chemicalCompound:activity
activity:313346
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:98
lld:chembl