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546555
Source:
http://linkedlifedata.com/resource/chembl/compound/546555
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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:546555
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:546555
chemicalCompound:parent
chemicalCompound:665309
lld:chembl
chemicalCompound:546555
chemicalCompound:standardIn...
InChI=1S/C16H25N2O8P.ClH/c1-4-25-27(22,26-5-2)16(17-8-10-24-11-9-17)12-6-7-13(19)15(23-3)14(12)18(20)21;/h6-7,16,19H,4-5,8-11H2,1-3H3;1H
lld:chembl
chemicalCompound:546555
chemicalCompound:standardIn...
GEGUIKWIIZAFCE-UHFFFAOYSA-N
lld:chembl
chemicalCompound:546555
chemicalCompound:canonicalS...
Cl.CCOP(=O)(OCC)C(N1CCOCC1)c2ccc(O)c(OC)c2[N+](=O)[O-]
lld:chembl
chemicalCompound:546555
chemicalCompound:molecularF...
C16H26ClN2O8P
lld:chembl
chemicalCompound:546555
chemicalCompound:moleculeId
546555
lld:chembl
chemicalCompound:546555
chemicalCompound:mwFreebase
404.352
lld:chembl
chemicalCompound:546555
chemicalCompound:alogp
1.438
lld:chembl
chemicalCompound:546555
chemicalCompound:hba
9
lld:chembl
chemicalCompound:546555
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:546555
chemicalCompound:psa
133.09
lld:chembl
chemicalCompound:546555
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:546555
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:546555
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:546555
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:546555
chemicalCompound:acdMostApk...
9.141
lld:chembl
chemicalCompound:546555
chemicalCompound:acdLogP
2.143
lld:chembl
chemicalCompound:546555
chemicalCompound:acdLogD
2.133
lld:chembl
chemicalCompound:546555
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:546555
chemicalCompound:fullMwt
440.813
lld:chembl
chemicalCompound:546555
chemicalCompound:acdMostBpk...
3.472
lld:chembl
chemicalCompound:546555
chemicalCompound:chemblId
CHEMBL542446
lld:chembl
chemicalCompound:546555
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:546555
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:546555
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:546555
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:546555
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:546555
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:546555
chemicalCompound:oral
No
lld:chembl
chemicalCompound:546555
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:546555
chemicalCompound:topical
No
lld:chembl
chemicalCompound:546555
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:546555
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:546555
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:546555
chemicalCompound:activity
activity:308214
lld:chembl
chemicalCompound:546555
chemicalCompound:activity
activity:308215
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:546555
lld:chembl