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629093
Source:
http://linkedlifedata.com/resource/chembl/compound/629093
Search
Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:629093
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:629093
chemicalCompound:standardIn...
InChI=1S/C16H12Cl2N4OS/c17-12-6-7-14(13(18)8-12)23-10-15-20-21-16(24)22(15)19-9-11-4-2-1-3-5-11/h1-9H,10H2,(H,21,24)/b19-9+
lld:chembl
chemicalCompound:629093
chemicalCompound:standardIn...
HRJCSHCAYGGSRC-DJKKODMXSA-N
lld:chembl
chemicalCompound:629093
chemicalCompound:canonicalS...
Clc1ccc(OCC2=NNC(=S)N2\N=C\c3ccccc3)c(Cl)c1
lld:chembl
chemicalCompound:629093
chemicalCompound:molecularF...
C16H12Cl2N4OS
lld:chembl
chemicalCompound:629093
chemicalCompound:moleculeId
629093
lld:chembl
chemicalCompound:629093
chemicalCompound:mwFreebase
379.264
lld:chembl
chemicalCompound:629093
chemicalCompound:alogp
4.911
lld:chembl
chemicalCompound:629093
chemicalCompound:hba
4
lld:chembl
chemicalCompound:629093
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:629093
chemicalCompound:psa
81.31
lld:chembl
chemicalCompound:629093
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:629093
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:629093
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:629093
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:629093
chemicalCompound:acdMostApk...
8.067
lld:chembl
chemicalCompound:629093
chemicalCompound:acdLogP
3.912
lld:chembl
chemicalCompound:629093
chemicalCompound:acdLogD
3.858
lld:chembl
chemicalCompound:629093
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:629093
chemicalCompound:fullMwt
379.264
lld:chembl
chemicalCompound:629093
chemicalCompound:acdMostBpk...
0.645
lld:chembl
chemicalCompound:629093
chemicalCompound:chemblId
CHEMBL1087190
lld:chembl
chemicalCompound:629093
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:629093
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:629093
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:629093
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:629093
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:629093
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:629093
chemicalCompound:oral
No
lld:chembl
chemicalCompound:629093
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:629093
chemicalCompound:topical
No
lld:chembl
chemicalCompound:629093
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:629093
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:629093
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:629093
chemicalCompound:activity
activity:3277785
lld:chembl
chemicalCompound:629093
chemicalCompound:activity
activity:3277795
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:629093
lld:chembl