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728737
Source:
http://linkedlifedata.com/resource/chembl/compound/728737
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Subject
Predicate
Object
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(
44
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:728737
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:728737
chemicalCompound:parent
chemicalCompound:1039185
lld:chembl
chemicalCompound:728737
chemicalCompound:standardIn...
InChI=1S/C17H24N4O2S.C2H2O4/c1-14-3-5-15(6-4-14)23-13-16-18-19-17(20(16)2)24-12-9-21-7-10-22-11-8-21;3-1(4)2(5)6/h3-6H,7-13H2,1-2H3;(H,3,4)(H,5,6)
lld:chembl
chemicalCompound:728737
chemicalCompound:standardIn...
XFRWTVYNCXXDDH-UHFFFAOYSA-N
lld:chembl
chemicalCompound:728737
chemicalCompound:canonicalS...
Cc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1.OC(=O)C(=O)O
lld:chembl
chemicalCompound:728737
chemicalCompound:molecularF...
C19H26N4O6S
lld:chembl
chemicalCompound:728737
chemicalCompound:moleculeId
728737
lld:chembl
chemicalCompound:728737
chemicalCompound:mwFreebase
348.463
lld:chembl
chemicalCompound:728737
chemicalCompound:alogp
2.556
lld:chembl
chemicalCompound:728737
chemicalCompound:hba
6
lld:chembl
chemicalCompound:728737
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:728737
chemicalCompound:psa
77.7
lld:chembl
chemicalCompound:728737
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:728737
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:728737
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:728737
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:728737
chemicalCompound:acdLogP
0
lld:chembl
chemicalCompound:728737
chemicalCompound:acdLogD
-0.028
lld:chembl
chemicalCompound:728737
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:728737
chemicalCompound:fullMwt
438.498
lld:chembl
chemicalCompound:728737
chemicalCompound:acdMostBpk...
6.223
lld:chembl
chemicalCompound:728737
chemicalCompound:chemblId
CHEMBL1304853
lld:chembl
chemicalCompound:728737
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:728737
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:728737
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:728737
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:728737
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:728737
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:728737
chemicalCompound:oral
No
lld:chembl
chemicalCompound:728737
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:728737
chemicalCompound:topical
No
lld:chembl
chemicalCompound:728737
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:728737
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:728737
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:3727787
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:4317212
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:4611333
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:4675966
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:5376066
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:5747455
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:5832461
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:6714481
lld:chembl
chemicalCompound:728737
chemicalCompound:activity
activity:6784843
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:728737
lld:chembl