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1039185
Source:
http://linkedlifedata.com/resource/chembl/compound/1039185
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Subject
Predicate
Object
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(
33
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1039185
chemicalCompound:standardIn...
InChI=1S/C17H24N4O2S/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/h3-6H,7-13H2,1-2H3
lld:chembl
chemicalCompound:1039185
chemicalCompound:standardIn...
UDBCQFCBPGGYDU-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1039185
chemicalCompound:canonicalS...
Cc1ccc(OCc2nnc(SCCN3CCOCC3)n2C)cc1
lld:chembl
chemicalCompound:1039185
chemicalCompound:molecularF...
C17H24N4O2S
lld:chembl
chemicalCompound:1039185
chemicalCompound:moleculeId
1039185
lld:chembl
chemicalCompound:1039185
chemicalCompound:mwFreebase
348.463
lld:chembl
chemicalCompound:1039185
chemicalCompound:alogp
2.556
lld:chembl
chemicalCompound:1039185
chemicalCompound:hba
6
lld:chembl
chemicalCompound:1039185
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:1039185
chemicalCompound:psa
77.7
lld:chembl
chemicalCompound:1039185
chemicalCompound:rtb
7
lld:chembl
chemicalCompound:1039185
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1039185
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1039185
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1039185
chemicalCompound:acdLogP
0
lld:chembl
chemicalCompound:1039185
chemicalCompound:acdLogD
-0.028
lld:chembl
chemicalCompound:1039185
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:1039185
chemicalCompound:fullMwt
348.463
lld:chembl
chemicalCompound:1039185
chemicalCompound:acdMostBpk...
6.223
lld:chembl
chemicalCompound:1039185
chemicalCompound:chemblId
CHEMBL1616234
lld:chembl
chemicalCompound:1039185
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1039185
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1039185
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1039185
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1039185
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1039185
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1039185
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1039185
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1039185
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1039185
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1039185
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1039185
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:728737
chemicalCompound:parent
chemicalCompound:1039185
lld:chembl