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868945
Source:
http://linkedlifedata.com/resource/chembl/compound/868945
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Subject
(
41
)
Predicate
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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:415
chemicalCompound:standardIn...
InChI=1S/C13H16N2.ClH/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15;/h2-5,14H,6-9H2,1H3;1H
chemicalCompound:standardIn...
SAIGGEUWSYESTR-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.Cn1c2CCNCCc2c3ccccc13
chemicalCompound:molecularF...
C13H17ClN2
chemicalCompound:moleculeId
868945
chemicalCompound:mwFreebase
200.28
chemicalCompound:alogp
2.267
chemicalCompound:hba
1
chemicalCompound:hbd
1
chemicalCompound:psa
16.96
chemicalCompound:rtb
0
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
2.135
chemicalCompound:acdLogD
-0.766
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
236.74
chemicalCompound:acdMostBpk...
10.733
chemicalCompound:chemblId
CHEMBL1445061
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:968945
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:3713564
,
activity:3740260
,
activity:3779578
,
activity:4465829
,
activity:4634576
,
activity:4713662
,
activity:5863721