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783065
Source:
http://linkedlifedata.com/resource/chembl/compound/783065
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Subject
(
50
)
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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:156585
chemicalCompound:standardIn...
InChI=1S/C19H30N2O.ClH/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;/h9-10,14-15,21H,2-8,11-13,20H2,1H3;1H
chemicalCompound:standardIn...
WVSBVULKJPWRBT-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
chemicalCompound:molecularF...
C19H31ClN2O
chemicalCompound:moleculeId
783065
chemicalCompound:mwFreebase
302.454
chemicalCompound:alogp
5.143
chemicalCompound:hba
2
chemicalCompound:hbd
2
chemicalCompound:psa
51.04
chemicalCompound:rtb
11
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
N
chemicalCompound:acdLogP
5.393
chemicalCompound:acdLogD
3.227
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
338.915
chemicalCompound:acdMostBpk...
9.483
chemicalCompound:chemblId
CHEMBL1359181
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:883065
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:3802327
,
activity:3934784
,
activity:3958225
,
activity:4009880
,
activity:4069798
,
activity:4360883
,
activity:4463169
,
activity:4515140
,
activity:4539394
,
activity:4693492
,
activity:4785661
,
activity:4912569
,
activity:4994875
,
activity:5344704
,
activity:5581507
,
activity:5792001