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704776
Source:
http://linkedlifedata.com/resource/chembl/compound/704776
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Subject
(
47
)
Predicate
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Inference
Explicit and implicit
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Implicit only
Statements in which the resource exists as a subject.
Predicate
Object
rdf:type
chembl:ChemicalCompound
chemicalCompound:parent
chemicalCompound:442
chemicalCompound:standardIn...
InChI=1S/C10H12N2.ClH/c11-6-5-8-7-12-10-4-2-1-3-9(8)10;/h1-4,7,12H,5-6,11H2;1H
chemicalCompound:standardIn...
KDFBGNBTTMPNIG-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.NCCc1c[nH]c2ccccc12
chemicalCompound:molecularF...
C10H13ClN2
chemicalCompound:moleculeId
704776
chemicalCompound:mwFreebase
160.216
chemicalCompound:alogp
1.55
chemicalCompound:hba
1
chemicalCompound:hbd
2
chemicalCompound:psa
41.81
chemicalCompound:rtb
2
chemicalCompound:ro3Pass
Y
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdLogP
1.542
chemicalCompound:acdLogD
-0.809
chemicalCompound:molecularS...
molecularSpecies:BASE
chemicalCompound:fullMwt
196.677
chemicalCompound:acdMostBpk...
9.71
chemicalCompound:chemblId
CHEMBL1255796
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
structureType:MOL
chemicalCompound:chebi
https://linkedlifedata.com/resource/chebi/id/CHEBI:804776
chemicalCompound:moleculeTy...
moleculeType:Small molecule
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:prefName
TRYPTAMINE HYDROCHLORIDE
chemicalCompound:activity
activity:3473225
,
activity:3490348
,
activity:3490349
,
activity:3696186
,
activity:3989052
,
activity:4278729
,
activity:4358521
,
activity:4536030
,
activity:4970381
,
activity:5029235
,
activity:5707879
,
activity:7530275