|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
|
|
chemicalCompound:standardIn... |
KWTSXDURSIMDCE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(N)Cc1ccccc1
|
|
chemicalCompound:molecularF... |
C9H13N
|
|
chemicalCompound:moleculeId |
543
|
|
chemicalCompound:mwFreebase |
135.206
|
|
chemicalCompound:alogp |
1.634
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
26.02
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.789
|
|
chemicalCompound:acdLogD |
-0.648
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
135.206
|
|
chemicalCompound:acdMostBpk... |
9.942
|
|
chemicalCompound:chemblId |
CHEMBL405
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
AMPHETAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1996
|
|
chemicalCompound:activity |
activity:198340,
activity:198341,
activity:198342,
activity:198343,
activity:205746,
activity:232896,
activity:234104,
activity:234105,
activity:241868,
activity:241869,
activity:241870,
activity:241871,
activity:241872,
activity:241873,
activity:241874,
activity:241875,
activity:241876,
activity:372189,
activity:372190,
activity:372191,
activity:372192,
activity:437787,
activity:485168,
activity:485169,
activity:488056,
activity:488057,
activity:488058,
activity:488059,
activity:501007,
activity:582102,
activity:582103,
activity:687766,
activity:687767,
activity:687768,
activity:744498,
activity:774400,
activity:796054,
activity:796055,
activity:1113852,
activity:1113853,
activity:1113854,
activity:1113855,
activity:1113856,
activity:1211362,
activity:1506319,
activity:1514644,
activity:1514645,
activity:2058685,
activity:2545972,
activity:3596824,
activity:5080680,
activity:5082495,
activity:5082640,
activity:5082863,
activity:5082888,
activity:5317093,
activity:5318044,
activity:5318995,
activity:5328743,
activity:7834417
|
