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Sources
93
Source:
http://linkedlifedata.com/resource/chembl/compound/93
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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:93
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:93
chemicalCompound:standardIn...
InChI=1S/C22H21IN6O3S/c1-31-18-10-14-17(11-19(18)32-2)26-22(27-20(14)24)29-7-5-28(6-8-29)21(30)13-3-4-16(25-12-33)15(23)9-13/h3-4,9-11H,5-8H2,1-2H3,(H2,24,26,27)
lld:chembl
chemicalCompound:93
chemicalCompound:standardIn...
CZNDELGMGXKRTL-UHFFFAOYSA-N
lld:chembl
chemicalCompound:93
chemicalCompound:canonicalS...
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4ccc(N=C=S)c(I)c4
lld:chembl
chemicalCompound:93
chemicalCompound:molecularF...
C22 H21 I N6 O3 S
lld:chembl
chemicalCompound:93
chemicalCompound:moleculeId
93
lld:chembl
chemicalCompound:93
chemicalCompound:mwFreebase
576.41
lld:chembl
chemicalCompound:93
chemicalCompound:alogp
3.429
lld:chembl
chemicalCompound:93
chemicalCompound:hba
9
lld:chembl
chemicalCompound:93
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:93
chemicalCompound:psa
138.26
lld:chembl
chemicalCompound:93
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:93
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:93
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:93
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:93
chemicalCompound:acdLogP
4.981
lld:chembl
chemicalCompound:93
chemicalCompound:acdLogD
4.927
lld:chembl
chemicalCompound:93
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:93
chemicalCompound:fullMwt
576.41
lld:chembl
chemicalCompound:93
chemicalCompound:acdMostBpk...
6.522
lld:chembl
chemicalCompound:93
chemicalCompound:chemblId
CHEMBL447227
lld:chembl
chemicalCompound:93
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:93
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:93
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:93
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:93
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:93
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:93
chemicalCompound:oral
No
lld:chembl
chemicalCompound:93
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:93
chemicalCompound:topical
No
lld:chembl
chemicalCompound:93
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:93
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:93
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:93
chemicalCompound:activity
activity:334989
lld:chembl
chemicalCompound:93
chemicalCompound:activity
activity:334990
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:93
lld:chembl