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161642
Source:
http://linkedlifedata.com/resource/chembl/compound/161642
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Subject
Predicate
Object
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(
37
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:161642
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:161642
chemicalCompound:standardIn...
InChI=1S/C14H21N5O3/c15-11(14(20)18-9-2-1-3-10-18)6-8-17-13-12(19(21)22)5-4-7-16-13/h4-5,7,11H,1-3,6,8-10,15H2,(H,16,17)/t11-/m0/s1
lld:chembl
chemicalCompound:161642
chemicalCompound:standardIn...
YITLXTODFKLRMW-NSHDSACASA-N
lld:chembl
chemicalCompound:161642
chemicalCompound:canonicalS...
N[C@@H](CCNc1ncccc1[N+](=O)[O-])C(=O)N2CCCCC2
lld:chembl
chemicalCompound:161642
chemicalCompound:molecularF...
C14 H21 N5 O3
lld:chembl
chemicalCompound:161642
chemicalCompound:moleculeId
161642
lld:chembl
chemicalCompound:161642
chemicalCompound:mwFreebase
307.348
lld:chembl
chemicalCompound:161642
chemicalCompound:alogp
0
lld:chembl
chemicalCompound:161642
chemicalCompound:hba
6
lld:chembl
chemicalCompound:161642
chemicalCompound:hbd
2
lld:chembl
chemicalCompound:161642
chemicalCompound:psa
117.07
lld:chembl
chemicalCompound:161642
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:161642
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:161642
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:161642
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:161642
chemicalCompound:acdLogP
1.736
lld:chembl
chemicalCompound:161642
chemicalCompound:acdLogD
1.476
lld:chembl
chemicalCompound:161642
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:161642
chemicalCompound:fullMwt
307.348
lld:chembl
chemicalCompound:161642
chemicalCompound:acdMostBpk...
8.165
lld:chembl
chemicalCompound:161642
chemicalCompound:chemblId
CHEMBL316487
lld:chembl
chemicalCompound:161642
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:161642
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:161642
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:161642
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:161642
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:161642
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:161642
chemicalCompound:oral
No
lld:chembl
chemicalCompound:161642
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:161642
chemicalCompound:topical
No
lld:chembl
chemicalCompound:161642
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:161642
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:161642
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:161642
chemicalCompound:activity
activity:966814
lld:chembl
chemicalCompound:161642
chemicalCompound:activity
activity:966815
lld:chembl
chemicalCompound:161642
chemicalCompound:activity
activity:966816
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:161642
lld:chembl