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Sources
72
Source:
http://linkedlifedata.com/resource/chembl/compound/72
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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:72
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:72
chemicalCompound:standardIn...
InChI=1S/C21H25N5O4S/c1-14-4-6-15(7-5-14)31(27,28)26-10-8-25(9-11-26)21-23-17-13-19(30-3)18(29-2)12-16(17)20(22)24-21/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24)
lld:chembl
chemicalCompound:72
chemicalCompound:standardIn...
GXPSJGHGAVNKAB-UHFFFAOYSA-N
lld:chembl
chemicalCompound:72
chemicalCompound:canonicalS...
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)S(=O)(=O)c4ccc(C)cc4
lld:chembl
chemicalCompound:72
chemicalCompound:molecularF...
C21 H25 N5 O4 S
lld:chembl
chemicalCompound:72
chemicalCompound:moleculeId
72
lld:chembl
chemicalCompound:72
chemicalCompound:mwFreebase
443.519
lld:chembl
chemicalCompound:72
chemicalCompound:alogp
2.281
lld:chembl
chemicalCompound:72
chemicalCompound:hba
8
lld:chembl
chemicalCompound:72
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:72
chemicalCompound:psa
119.26
lld:chembl
chemicalCompound:72
chemicalCompound:rtb
5
lld:chembl
chemicalCompound:72
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:72
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:72
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:72
chemicalCompound:acdLogP
3.318
lld:chembl
chemicalCompound:72
chemicalCompound:acdLogD
3.267
lld:chembl
chemicalCompound:72
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:72
chemicalCompound:fullMwt
443.519
lld:chembl
chemicalCompound:72
chemicalCompound:acdMostBpk...
6.499
lld:chembl
chemicalCompound:72
chemicalCompound:chemblId
CHEMBL415285
lld:chembl
chemicalCompound:72
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:72
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:72
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:72
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:72
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:72
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:72
chemicalCompound:oral
No
lld:chembl
chemicalCompound:72
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:72
chemicalCompound:topical
No
lld:chembl
chemicalCompound:72
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:72
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:72
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:72
chemicalCompound:activity
activity:315886
lld:chembl
chemicalCompound:72
chemicalCompound:activity
activity:315887
lld:chembl
chemicalCompound:72
chemicalCompound:activity
activity:1465618
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:72
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:72
lld:chembl