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552317
Source:
http://linkedlifedata.com/resource/chembl/compound/552317
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Subject
Predicate
Object
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(
45
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:552317
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:552317
chemicalCompound:parent
chemicalCompound:668319
lld:chembl
chemicalCompound:552317
chemicalCompound:synonym
synonym:552317_Zinoconazole...
lld:chembl
chemicalCompound:552317
chemicalCompound:standardIn...
InChI=1S/C15H11Cl3N4S.ClH/c16-10-2-1-3-11(17)15(10)21-20-12(8-22-7-6-19-9-22)13-4-5-14(18)23-13;/h1-7,9,21H,8H2;1H/b20-12-;
lld:chembl
chemicalCompound:552317
chemicalCompound:standardIn...
ABBHTBYIHZTISS-GRWWMUSUSA-N
lld:chembl
chemicalCompound:552317
chemicalCompound:canonicalS...
Cl.Clc1ccc(s1)\C(=N/Nc2c(Cl)cccc2Cl)\Cn3ccnc3
lld:chembl
chemicalCompound:552317
chemicalCompound:molecularF...
C15H12Cl4N4S
lld:chembl
chemicalCompound:552317
chemicalCompound:moleculeId
552317
lld:chembl
chemicalCompound:552317
chemicalCompound:mwFreebase
385.699
lld:chembl
chemicalCompound:552317
chemicalCompound:alogp
4.779
lld:chembl
chemicalCompound:552317
chemicalCompound:hba
3
lld:chembl
chemicalCompound:552317
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:552317
chemicalCompound:psa
70.44
lld:chembl
chemicalCompound:552317
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:552317
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:552317
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:552317
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:552317
chemicalCompound:acdMostApk...
12.069
lld:chembl
chemicalCompound:552317
chemicalCompound:acdLogP
4.359
lld:chembl
chemicalCompound:552317
chemicalCompound:acdLogD
4.283
lld:chembl
chemicalCompound:552317
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:552317
chemicalCompound:fullMwt
422.16
lld:chembl
chemicalCompound:552317
chemicalCompound:acdMostBpk...
6.309
lld:chembl
chemicalCompound:552317
chemicalCompound:chemblId
CHEMBL552561
lld:chembl
chemicalCompound:552317
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:552317
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:552317
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:552317
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:552317
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:552317
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:552317
chemicalCompound:oral
No
lld:chembl
chemicalCompound:552317
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:552317
chemicalCompound:topical
No
lld:chembl
chemicalCompound:552317
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:552317
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:552317
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344060
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344061
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344062
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344063
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344064
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344065
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344066
lld:chembl
chemicalCompound:552317
chemicalCompound:activity
activity:344067
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:552317
lld:chembl