rdf:type |
|
chemicalCompound:synonym |
|
chemicalCompound:standardIn... |
InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
|
chemicalCompound:standardIn... |
CFTOTSJVQRFXOF-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
C1Cc2c(CN1)[nH]c3ccccc23
|
chemicalCompound:molecularF... |
C11 H12 N2
|
chemicalCompound:moleculeId |
417
|
chemicalCompound:mwFreebase |
172.226
|
chemicalCompound:alogp |
1.813
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
2
|
chemicalCompound:psa |
27.82
|
chemicalCompound:rtb |
0
|
chemicalCompound:ro3Pass |
Y
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
1.816
|
chemicalCompound:acdLogD |
-1.123
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
172.226
|
chemicalCompound:acdMostBpk... |
10.846
|
chemicalCompound:chemblId |
CHEMBL269236
|
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 |
TRYPTOLINE
|
chemicalCompound:activity |
activity:73708,
activity:73709,
activity:185166,
activity:185167,
activity:186246,
activity:670314,
activity:670315,
activity:670316,
activity:670317,
activity:704102,
activity:704103,
activity:704104,
activity:878776,
activity:878777,
activity:878778,
activity:901201,
activity:3520863,
activity:3520868,
activity:3520869,
activity:3520870,
activity:3520871,
activity:3726234,
activity:5586451,
activity:6767818
|