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1027418
Source:
http://linkedlifedata.com/resource/chembl/compound/1027418
Search
Subject
Predicate
Object
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(
42
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:1027418
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:1027418
chemicalCompound:parent
chemicalCompound:453827
lld:chembl
chemicalCompound:1027418
chemicalCompound:standardIn...
InChI=1S/C18H29N3O5.ClH/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7;/h8-10,15,19,22H,11H2,1-7H3;1H
lld:chembl
chemicalCompound:1027418
chemicalCompound:standardIn...
LBARATORRVNNQM-UHFFFAOYSA-N
lld:chembl
chemicalCompound:1027418
chemicalCompound:canonicalS...
Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
lld:chembl
chemicalCompound:1027418
chemicalCompound:molecularF...
C18H30ClN3O5
lld:chembl
chemicalCompound:1027418
chemicalCompound:moleculeId
1027418
lld:chembl
chemicalCompound:1027418
chemicalCompound:mwFreebase
367.44
lld:chembl
chemicalCompound:1027418
chemicalCompound:alogp
1.727
lld:chembl
chemicalCompound:1027418
chemicalCompound:hba
6
lld:chembl
chemicalCompound:1027418
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:1027418
chemicalCompound:psa
91.33
lld:chembl
chemicalCompound:1027418
chemicalCompound:rtb
8
lld:chembl
chemicalCompound:1027418
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:1027418
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:1027418
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:1027418
chemicalCompound:acdMostApk...
13.695
lld:chembl
chemicalCompound:1027418
chemicalCompound:acdLogP
1.043
lld:chembl
chemicalCompound:1027418
chemicalCompound:acdLogD
-1.05
lld:chembl
chemicalCompound:1027418
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:1027418
chemicalCompound:fullMwt
403.901
lld:chembl
chemicalCompound:1027418
chemicalCompound:acdMostBpk...
9.575
lld:chembl
chemicalCompound:1027418
chemicalCompound:chemblId
CHEMBL1603534
lld:chembl
chemicalCompound:1027418
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:1027418
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:1027418
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:1027418
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1027418
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:1027418
chemicalCompound:oral
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:topical
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:1027418
chemicalCompound:chebiParen...
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:1027418
chemicalCompound:activity
activity:4206066
lld:chembl
chemicalCompound:1027418
chemicalCompound:activity
activity:4706092
lld:chembl
chemicalCompound:1027418
chemicalCompound:activity
activity:5029293
lld:chembl
chemicalCompound:1027418
chemicalCompound:activity
activity:6615370
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1027418
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:1027418
lld:chembl