|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
|
|
chemicalCompound:standardIn... |
BXNJHAXVSOCGBA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2c(c1)[nH]c3c(C)nccc23
|
|
chemicalCompound:molecularF... |
C13H12N2O
|
|
chemicalCompound:moleculeId |
322
|
|
chemicalCompound:mwFreebase |
212.247
|
|
chemicalCompound:alogp |
2.438
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
37.9
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.054
|
|
chemicalCompound:acdLogD |
1.749
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
212.247
|
|
chemicalCompound:acdMostBpk... |
8.711
|
|
chemicalCompound:chemblId |
CHEMBL269538
|
|
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 |
HARMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:51470,
activity:51471,
activity:51472,
activity:196136,
activity:201677,
activity:411685,
activity:646180,
activity:646181,
activity:646182,
activity:646183,
activity:646184,
activity:646185,
activity:646186,
activity:646187,
activity:646188,
activity:646189,
activity:646190,
activity:697406,
activity:697407,
activity:697408,
activity:697409,
activity:697410,
activity:697411,
activity:697412,
activity:697413,
activity:697414,
activity:697415,
activity:697416,
activity:697417,
activity:697418,
activity:697419,
activity:697420,
activity:697421,
activity:697422,
activity:697423,
activity:697424,
activity:697425,
activity:697426,
activity:697427,
activity:697428,
activity:697429,
activity:697430,
activity:1219657,
activity:1219658,
activity:1219659,
activity:1219660,
activity:1219661,
activity:1219662,
activity:1219663,
activity:1219664,
activity:1219665,
activity:1219666,
activity:2062636,
activity:2062661,
activity:2062670,
activity:2197497,
activity:2197533,
activity:2197565,
activity:2403034,
activity:2403035,
activity:2403036,
activity:2403037,
activity:2403038,
activity:2456548
|
