|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
|
|
chemicalCompound:standardIn... |
APJYDQYYACXCRM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
NCCc1c[nH]c2ccccc12
|
|
chemicalCompound:molecularF... |
C10H12N2
|
|
chemicalCompound:moleculeId |
442
|
|
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... |
|
|
chemicalCompound:fullMwt |
160.216
|
|
chemicalCompound:acdMostBpk... |
9.71
|
|
chemicalCompound:chemblId |
CHEMBL6640
|
|
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 |
TRYPTAMINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:198323,
activity:218759,
activity:218760,
activity:254382,
activity:254383,
activity:254384,
activity:254385,
activity:254386,
activity:450575,
activity:657864,
activity:664690,
activity:664691,
activity:664692,
activity:664693,
activity:848502,
activity:1023933,
activity:1023934,
activity:1023935,
activity:1709595,
activity:1879218,
activity:1879463,
activity:2184895,
activity:2669567,
activity:2669582,
activity:2669597,
activity:2669612,
activity:3254899,
activity:3254983,
activity:3468677,
activity:3533804,
activity:3533817,
activity:3534868,
activity:3534885,
activity:3534926,
activity:3534944,
activity:3534956,
activity:3534970,
activity:3672750,
activity:4350830,
activity:4586031,
activity:5006132,
activity:5010490,
activity:5070944,
activity:5346476,
activity:5358177,
activity:5570276,
activity:5776021,
activity:5976120,
activity:5987014,
activity:5996773,
activity:6059451,
activity:6066519,
activity:6069741,
activity:6074585,
activity:6702760,
activity:7365782
|
