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189457
Source:
http://linkedlifedata.com/resource/chembl/compound/189457
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Subject
Predicate
Object
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(
38
)
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Inference
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Explicit only
Implicit only
Statements in which the resource exists.
Subject
Predicate
Object
Context
chemicalCompound:189457
rdf:type
chembl:ChemicalCompound
lld:chembl
chemicalCompound:189457
chemicalCompound:standardIn...
InChI=1S/C31H33NO4/c33-25-15-16-27-28(22-25)36-31(34)30(23-11-4-1-5-12-23)29(27)24-13-10-14-26(21-24)35-20-9-3-8-19-32-17-6-2-7-18-32/h1,4-5,10-16,21-22,33H,2-3,6-9,17-20H2
lld:chembl
chemicalCompound:189457
chemicalCompound:standardIn...
JXTJOXVMKOPREE-UHFFFAOYSA-N
lld:chembl
chemicalCompound:189457
chemicalCompound:canonicalS...
Oc1ccc2C(=C(C(=O)Oc2c1)c3ccccc3)c4cccc(OCCCCCN5CCCCC5)c4
lld:chembl
chemicalCompound:189457
chemicalCompound:molecularF...
C31 H33 N O4
lld:chembl
chemicalCompound:189457
chemicalCompound:moleculeId
189457
lld:chembl
chemicalCompound:189457
chemicalCompound:mwFreebase
483.598
lld:chembl
chemicalCompound:189457
chemicalCompound:alogp
6.753
lld:chembl
chemicalCompound:189457
chemicalCompound:hba
5
lld:chembl
chemicalCompound:189457
chemicalCompound:hbd
1
lld:chembl
chemicalCompound:189457
chemicalCompound:psa
59
lld:chembl
chemicalCompound:189457
chemicalCompound:rtb
9
lld:chembl
chemicalCompound:189457
chemicalCompound:ro3Pass
N
lld:chembl
chemicalCompound:189457
chemicalCompound:numRo5viol...
1
lld:chembl
chemicalCompound:189457
chemicalCompound:medChemFri...
Y
lld:chembl
chemicalCompound:189457
chemicalCompound:acdMostApk...
7.659
lld:chembl
chemicalCompound:189457
chemicalCompound:acdLogP
6.05
lld:chembl
chemicalCompound:189457
chemicalCompound:acdLogD
3.693
lld:chembl
chemicalCompound:189457
chemicalCompound:molecularS...
molecularSpecies:BASE
lld:chembl
chemicalCompound:189457
chemicalCompound:fullMwt
483.598
lld:chembl
chemicalCompound:189457
chemicalCompound:acdMostBpk...
9.766
lld:chembl
chemicalCompound:189457
chemicalCompound:chemblId
CHEMBL115489
lld:chembl
chemicalCompound:189457
chemicalCompound:maxPhase
0
lld:chembl
chemicalCompound:189457
chemicalCompound:therapeuti...
0
lld:chembl
chemicalCompound:189457
chemicalCompound:dosedIngre...
No
lld:chembl
chemicalCompound:189457
chemicalCompound:structureT...
structureType:MOL
lld:chembl
chemicalCompound:189457
chemicalCompound:chebi
https://linkedlifedata.com/...
lld:chembl
chemicalCompound:189457
chemicalCompound:moleculeTy...
moleculeType:Small molecule
lld:chembl
chemicalCompound:189457
chemicalCompound:oral
No
lld:chembl
chemicalCompound:189457
chemicalCompound:parenteral
No
lld:chembl
chemicalCompound:189457
chemicalCompound:topical
No
lld:chembl
chemicalCompound:189457
chemicalCompound:blackBoxWa...
No
lld:chembl
chemicalCompound:189457
chemicalCompound:naturalPro...
No
lld:chembl
chemicalCompound:189457
chemicalCompound:proDrug
No
lld:chembl
chemicalCompound:189457
chemicalCompound:activity
activity:899422
lld:chembl
chemicalCompound:189457
chemicalCompound:activity
activity:899423
lld:chembl
chemicalCompound:189457
chemicalCompound:activity
activity:899424
lld:chembl
http://linkedlifedata.com/r...
http://linkedlifedata.com/r...
chemicalCompound:189457
lld:chembl