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310581
Source:
http://linkedlifedata.com/resource/chembl/compound/310581
Search
Subject
Predicate
Object
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(
36
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:310581
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:310581
chemicalCompound:standardIn...
InChI=1S/C17H18Br2ClN3S/c18-13-7-12(8-14(19)9-13)11-21-5-2-6-22-17(24)23-16-4-1-3-15(20)10-16/h1,3-4,7-10,21H,2,5-6,11H2,(H2,22,23,24)
lld:chembl
chemicalCompound:310581
chemicalCompound:standardIn...
MDJFXHRSVRJADP-UHFFFAOYSA-N
lld:chembl
chemicalCompound:310581
chemicalCompound:canonicalS...
Clc1cccc(NC(=S)NCCCNCc2cc(Br)cc(Br)c2)c1
lld:chembl
chemicalCompound:310581
chemicalCompound:molecularF...
C17 H18 Br2 Cl N3 S
lld:chembl
chemicalCompound:310581
chemicalCompound:moleculeId
310581
lld:chembl
chemicalCompound:310581
chemicalCompound:mwFreebase
491.671
lld:chembl
chemicalCompound:310581
chemicalCompound:alogp
5.922
lld:chembl
chemicalCompound:310581
chemicalCompound:hba
2
lld:chembl
chemicalCompound:310581
chemicalCompound:hbd
3
lld:chembl
chemicalCompound:310581
chemicalCompound:psa
68.18
lld:chembl
chemicalCompound:310581
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:310581
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:310581
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:310581
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:310581
chemicalCompound:acdMostApk...
12.166
lld:chembl
chemicalCompound:310581
chemicalCompound:acdLogP
5.135
lld:chembl
chemicalCompound:310581
chemicalCompound:acdLogD
4.098
lld:chembl
chemicalCompound:310581
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:310581
chemicalCompound:fullMwt
491.671
lld:chembl
chemicalCompound:310581
chemicalCompound:acdMostBpk...
8.471
lld:chembl
chemicalCompound:310581
chemicalCompound:chemblId
CHEMBL186859
lld:chembl
chemicalCompound:310581
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:310581
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:310581
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:310581
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:310581
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:310581
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:310581
chemicalCompound:oral
No
lld:chembl
chemicalCompound:310581
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:310581
chemicalCompound:topical
No
lld:chembl
chemicalCompound:310581
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:310581
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:310581
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:310581
chemicalCompound:activity
activity:1455340
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:310581
lld:chembl