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176454
Source:
http://linkedlifedata.com/resource/chembl/compound/176454
Search
Subject
Predicate
Object
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(
41
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:176454
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:176454
chemicalCompound:standardIn...
InChI=1S/C28H37BrN4O2/c1-5-35-31-26(22-6-8-24(29)9-7-22)23-11-16-33(17-12-23)28(4)13-18-32(19-14-28)27(34)25-20(2)10-15-30-21(25)3/h6-10,15,23H,5,11-14,16-19H2,1-4H3/b31-26+
lld:chembl
chemicalCompound:176454
chemicalCompound:standardIn...
UCANOSVRVFBCJE-GKPLWNPISA-N
lld:chembl
chemicalCompound:176454
chemicalCompound:canonicalS...
CCO\N=C(\C1CCN(CC1)C2(C)CCN(CC2)C(=O)c3c(C)ccnc3C)/c4ccc(Br)cc4
lld:chembl
chemicalCompound:176454
chemicalCompound:molecularF...
C28 H37 Br N4 O2
lld:chembl
chemicalCompound:176454
chemicalCompound:moleculeId
176454
lld:chembl
chemicalCompound:176454
chemicalCompound:mwFreebase
541.523
lld:chembl
chemicalCompound:176454
chemicalCompound:alogp
4.257
lld:chembl
chemicalCompound:176454
chemicalCompound:hba
5
lld:chembl
chemicalCompound:176454
chemicalCompound:hbd
0
lld:chembl
chemicalCompound:176454
chemicalCompound:psa
58.03
lld:chembl
chemicalCompound:176454
chemicalCompound:rtb
6
lld:chembl
chemicalCompound:176454
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:176454
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:176454
chemicalCompound:medChemFri...
N
lld:chembl
chemicalCompound:176454
chemicalCompound:acdLogP
5.296
lld:chembl
chemicalCompound:176454
chemicalCompound:acdLogD
4.568
lld:chembl
chemicalCompound:176454
chemicalCompound:molecularS...
molecularSpecies:NEUTRAL
lld:chembl
chemicalCompound:176454
chemicalCompound:fullMwt
541.523
lld:chembl
chemicalCompound:176454
chemicalCompound:acdMostBpk...
8.074
lld:chembl
chemicalCompound:176454
chemicalCompound:chemblId
CHEMBL105821
lld:chembl
chemicalCompound:176454
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:176454
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:176454
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:176454
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:176454
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:176454
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:176454
chemicalCompound:oral
No
lld:chembl
chemicalCompound:176454
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:176454
chemicalCompound:topical
No
lld:chembl
chemicalCompound:176454
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:176454
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:176454
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:176454
chemicalCompound:activity
activity:311951
lld:chembl
chemicalCompound:176454
chemicalCompound:activity
activity:311952
lld:chembl
chemicalCompound:176454
chemicalCompound:activity
activity:311953
lld:chembl
chemicalCompound:176454
chemicalCompound:activity
activity:371541
lld:chembl
chemicalCompound:176454
chemicalCompound:activity
activity:371542
lld:chembl
chemicalCompound:176454
chemicalCompound:activity
activity:371543
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:176454
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:176454
lld:chembl