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218954
Source:
http://linkedlifedata.com/resource/chembl/compound/218954
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Subject
Predicate
Object
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(
39
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:218954
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:218954
chemicalCompound:standardIn...
InChI=1S/C22H16Cl2N4O/c1-13-25-12-15-11-16(20-17(23)8-5-9-18(20)24)22(28-21(15)26-13)27-19(29)10-14-6-3-2-4-7-14/h2-9,11-12H,10H2,1H3,(H,25,26,27,28,29)
lld:chembl
chemicalCompound:218954
chemicalCompound:standardIn...
CFDLHVOINQTDQC-UHFFFAOYSA-N
lld:chembl
chemicalCompound:218954
chemicalCompound:canonicalS...
Cc1ncc2cc(c(NC(=O)Cc3ccccc3)nc2n1)c4c(Cl)cccc4Cl
lld:chembl
chemicalCompound:218954
chemicalCompound:molecularF...
C22 H16 Cl2 N4 O
lld:chembl
chemicalCompound:218954
chemicalCompound:moleculeId
218954
lld:chembl
chemicalCompound:218954
chemicalCompound:mwFreebase
423.295
lld:chembl
chemicalCompound:218954
chemicalCompound:alogp
4.594
lld:chembl
chemicalCompound:218954
chemicalCompound:hba
4
lld:chembl
chemicalCompound:218954
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:218954
chemicalCompound:psa
67.77
lld:chembl
chemicalCompound:218954
chemicalCompound:rtb
4
lld:chembl
chemicalCompound:218954
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:218954
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:218954
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:218954
chemicalCompound:acdMostApk...
9.696
lld:chembl
chemicalCompound:218954
chemicalCompound:acdLogP
5.567
lld:chembl
chemicalCompound:218954
chemicalCompound:acdLogD
5.562
lld:chembl
chemicalCompound:218954
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:218954
chemicalCompound:fullMwt
423.295
lld:chembl
chemicalCompound:218954
chemicalCompound:acdMostBpk...
1.166
lld:chembl
chemicalCompound:218954
chemicalCompound:chemblId
CHEMBL133581
lld:chembl
chemicalCompound:218954
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:218954
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:218954
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:218954
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:218954
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:218954
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:218954
chemicalCompound:oral
No
lld:chembl
chemicalCompound:218954
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:218954
chemicalCompound:topical
No
lld:chembl
chemicalCompound:218954
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:218954
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:218954
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:218954
chemicalCompound:activity
activity:302006
lld:chembl
chemicalCompound:218954
chemicalCompound:activity
activity:302007
lld:chembl
chemicalCompound:218954
chemicalCompound:activity
activity:302008
lld:chembl
chemicalCompound:218954
chemicalCompound:activity
activity:302009
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:218954
lld:chembl