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72615
Source:
http://linkedlifedata.com/resource/chembl/compound/72615
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Subject
Predicate
Object
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(
38
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:72615
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:72615
chemicalCompound:standardIn...
InChI=1S/C22H18N2O4S/c25-21-19-17(11-12-29-19)23-20(28-21)18(13-15-7-3-1-4-8-15)24-22(26)27-14-16-9-5-2-6-10-16/h1-12,18H,13-14H2,(H,24,26)/t18-/m0/s1
lld:chembl
chemicalCompound:72615
chemicalCompound:standardIn...
ZECMHZNEFXHGHV-SFHVURJKSA-N
lld:chembl
chemicalCompound:72615
chemicalCompound:canonicalS...
O=C(N[C@@H](Cc1ccccc1)C2=Nc3ccsc3C(=O)O2)OCc4ccccc4
lld:chembl
chemicalCompound:72615
chemicalCompound:molecularF...
C22 H18 N2 O4 S
lld:chembl
chemicalCompound:72615
chemicalCompound:moleculeId
72615
lld:chembl
chemicalCompound:72615
chemicalCompound:mwFreebase
406.454
lld:chembl
chemicalCompound:72615
chemicalCompound:alogp
4.756
lld:chembl
chemicalCompound:72615
chemicalCompound:hba
5
lld:chembl
chemicalCompound:72615
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:72615
chemicalCompound:psa
105.23
lld:chembl
chemicalCompound:72615
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:72615
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:72615
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:72615
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:72615
chemicalCompound:acdMostApk...
11.294
lld:chembl
chemicalCompound:72615
chemicalCompound:acdLogP
3.022
lld:chembl
chemicalCompound:72615
chemicalCompound:acdLogD
3.022
lld:chembl
chemicalCompound:72615
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:72615
chemicalCompound:fullMwt
406.454
lld:chembl
chemicalCompound:72615
chemicalCompound:acdMostBpk...
1
lld:chembl
chemicalCompound:72615
chemicalCompound:chemblId
CHEMBL301380
lld:chembl
chemicalCompound:72615
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:72615
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:72615
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:72615
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:72615
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:72615
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:72615
chemicalCompound:oral
No
lld:chembl
chemicalCompound:72615
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:72615
chemicalCompound:topical
No
lld:chembl
chemicalCompound:72615
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:72615
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:72615
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:72615
chemicalCompound:activity
activity:1064372
lld:chembl
chemicalCompound:72615
chemicalCompound:activity
activity:1064373
lld:chembl
chemicalCompound:72615
chemicalCompound:activity
activity:1064374
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:72615
lld:chembl