|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
|
|
chemicalCompound:standardIn... |
BHHGXPLMPWCGHP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCc1ccccc1
|
|
chemicalCompound:molecularF... |
C8H11N
|
|
chemicalCompound:moleculeId |
23056
|
|
chemicalCompound:mwFreebase |
121.18
|
|
chemicalCompound:alogp |
1.257
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.435
|
|
chemicalCompound:acdLogD |
-0.969
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
121.18
|
|
chemicalCompound:acdMostBpk... |
9.9
|
|
chemicalCompound:chemblId |
CHEMBL610
|
|
chemicalCompound:maxPhase |
0
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PHENETHYLAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:105863,
activity:197234,
activity:197235,
activity:197236,
activity:197237,
activity:197238,
activity:197239,
activity:206941,
activity:253005,
activity:470595,
activity:504857,
activity:537162,
activity:537163,
activity:537164,
activity:537165,
activity:537166,
activity:537167,
activity:700362,
activity:778765,
activity:869870,
activity:910479,
activity:1211361,
activity:1216185,
activity:1514648,
activity:1514649,
activity:1773584,
activity:1773593,
activity:1773628,
activity:1773637,
activity:2072608,
activity:2072641,
activity:2072658,
activity:2478031,
activity:2495131,
activity:2495138,
activity:2495145,
activity:2495152,
activity:2495159,
activity:2558444,
activity:2558445,
activity:2638133,
activity:2638171,
activity:3879269,
activity:6621279,
activity:7968709,
activity:7968728
|
