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Sources
704728
Source:
http://linkedlifedata.com/resource/chembl/compound/704728
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Subject
(
48
)
Predicate
Object
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Inference
Explicit and implicit
Explicit only
Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:436
chemicalCompound:standardIn...
InChI=1S/C11H16INO2.ClH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H
chemicalCompound:standardIn...
QVFDMWGKHUFODK-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.COc1cc(CC(C)N)c(OC)cc1I
chemicalCompound:molecularF...
C11H17ClINO2
chemicalCompound:moleculeId
704728
chemicalCompound:mwFreebase
321.155
chemicalCompound:alogp
2.179
chemicalCompound:hba
3
chemicalCompound:hbd
1
chemicalCompound:psa
44.48
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
3.191
chemicalCompound:acdLogD
1.161
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
357.616
chemicalCompound:acdMostBpk...
9.464
chemicalCompound:chemblId
CHEMBL1255748
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:804728
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:3492355
,
activity:3634963
,
activity:3649526
,
activity:3693361
,
activity:3988073
,
activity:4084721
,
activity:4278527
,
activity:4358343
,
activity:4535840
,
activity:5569958
,
activity:5706745
,
activity:7008929
,
activity:7463047
,
activity:7465545