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544949
Source:
http://linkedlifedata.com/resource/chembl/compound/544949
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Subject
Predicate
Object
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(
39
)
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:544949
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:544949
chemicalCompound:parent
chemicalCompound:667894
lld:chembl
chemicalCompound:544949
chemicalCompound:standardIn...
InChI=1S/C23H31NO2.ClH/c1-2-16-10-19(26)13-23-8-9-24(14-15-4-3-5-15)21(22(16)23)11-17-6-7-18(25)12-20(17)23;/h6-7,12,15-16,21-22,25H,2-5,8-11,13-14H2,1H3;1H/t16-,21?,22-,23?;/m0./s1
lld:chembl
chemicalCompound:544949
chemicalCompound:standardIn...
REYBJTDKNLJXAZ-XKZWLRKMSA-N
lld:chembl
chemicalCompound:544949
chemicalCompound:canonicalS...
Cl.CC[C@H]1CC(=O)CC23CCN(CC4CCC4)C(Cc5ccc(O)cc25)[C@H]13
lld:chembl
chemicalCompound:544949
chemicalCompound:molecularF...
C23H32ClNO2
lld:chembl
chemicalCompound:544949
chemicalCompound:moleculeId
544949
lld:chembl
chemicalCompound:544949
chemicalCompound:mwFreebase
353.498
lld:chembl
chemicalCompound:544949
chemicalCompound:alogp
4.01
lld:chembl
chemicalCompound:544949
chemicalCompound:hba
3
lld:chembl
chemicalCompound:544949
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:544949
chemicalCompound:psa
40.54
lld:chembl
chemicalCompound:544949
chemicalCompound:rtb
3
lld:chembl
chemicalCompound:544949
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:544949
chemicalCompound:numRo5viol...
0
lld:chembl
chemicalCompound:544949
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:544949
chemicalCompound:acdMostApk...
10.073
lld:chembl
chemicalCompound:544949
chemicalCompound:acdLogP
5.126
lld:chembl
chemicalCompound:544949
chemicalCompound:acdLogD
3.892
lld:chembl
chemicalCompound:544949
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:544949
chemicalCompound:fullMwt
389.959
lld:chembl
chemicalCompound:544949
chemicalCompound:acdMostBpk...
8.627
lld:chembl
chemicalCompound:544949
chemicalCompound:chemblId
CHEMBL545432
lld:chembl
chemicalCompound:544949
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:544949
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:544949
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:544949
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:544949
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:544949
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:544949
chemicalCompound:oral
No
lld:chembl
chemicalCompound:544949
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:544949
chemicalCompound:topical
No
lld:chembl
chemicalCompound:544949
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:544949
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:544949
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:544949
chemicalCompound:activity
activity:890098
lld:chembl
chemicalCompound:544949
chemicalCompound:activity
activity:890099
lld:chembl
chemicalCompound:544949
chemicalCompound:activity
activity:890100
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:544949
lld:chembl