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Sources
552109
Source:
http://linkedlifedata.com/resource/chembl/compound/552109
Search
Subject
Predicate
Object
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(
40
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:552109
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:552109
chemicalCompound:parent
chemicalCompound:89
lld:chembl
chemicalCompound:552109
chemicalCompound:standardIn...
InChI=1S/C23H24BrN5O3.ClH/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)25)29-11-9-28(10-12-29)21(30)8-5-15-3-6-16(24)7-4-15;/h3-8,13-14H,9-12H2,1-2H3,(H2,25,26,27);1H/b8-5+;
lld:chembl
chemicalCompound:552109
chemicalCompound:standardIn...
XMYFEXWWAIRFTE-HAAWTFQLSA-N
lld:chembl
chemicalCompound:552109
chemicalCompound:canonicalS...
Cl.COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)\C=C\c4ccc(Br)cc4
lld:chembl
chemicalCompound:552109
chemicalCompound:molecularF...
C23H25BrClN5O3
lld:chembl
chemicalCompound:552109
chemicalCompound:moleculeId
552109
lld:chembl
chemicalCompound:552109
chemicalCompound:mwFreebase
498.372
lld:chembl
chemicalCompound:552109
chemicalCompound:alogp
3.308
lld:chembl
chemicalCompound:552109
chemicalCompound:hba
7
lld:chembl
chemicalCompound:552109
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:552109
chemicalCompound:psa
93.81
lld:chembl
chemicalCompound:552109
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:552109
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:552109
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:552109
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:552109
chemicalCompound:acdLogP
3.427
lld:chembl
chemicalCompound:552109
chemicalCompound:acdLogD
3.373
lld:chembl
chemicalCompound:552109
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:552109
chemicalCompound:fullMwt
534.833
lld:chembl
chemicalCompound:552109
chemicalCompound:acdMostBpk...
6.524
lld:chembl
chemicalCompound:552109
chemicalCompound:chemblId
CHEMBL540325
lld:chembl
chemicalCompound:552109
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:552109
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:552109
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:552109
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:552109
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:552109
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:552109
chemicalCompound:oral
No
lld:chembl
chemicalCompound:552109
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:552109
chemicalCompound:topical
No
lld:chembl
chemicalCompound:552109
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:552109
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:552109
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:552109
chemicalCompound:activity
activity:560514
lld:chembl
chemicalCompound:552109
chemicalCompound:activity
activity:560515
lld:chembl
chemicalCompound:552109
chemicalCompound:activity
activity:560516
lld:chembl
chemicalCompound:552109
chemicalCompound:activity
activity:560517
lld:chembl
chemicalCompound:552109
chemicalCompound:activity
activity:560518
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:552109
lld:chembl