|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
|
|
chemicalCompound:standardIn... |
RSDOPYMFZBJHRL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=C1CCCN1CC#CCN2CCCC2
|
|
chemicalCompound:molecularF... |
C12H18N2O
|
|
chemicalCompound:moleculeId |
2076
|
|
chemicalCompound:mwFreebase |
206.284
|
|
chemicalCompound:alogp |
1.025
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
23.55
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.56
|
|
chemicalCompound:acdLogD |
0.637
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
206.284
|
|
chemicalCompound:acdMostBpk... |
8.289
|
|
chemicalCompound:chemblId |
CHEMBL7634
|
|
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 |
OXOTREMORINE
|
|
chemicalCompound:activity |
activity:66704,
activity:66705,
activity:66706,
activity:66707,
activity:66708,
activity:66709,
activity:66710,
activity:66711,
activity:66712,
activity:69268,
activity:69269,
activity:69270,
activity:69271,
activity:69272,
activity:103165,
activity:103166,
activity:103167,
activity:123199,
activity:123200,
activity:165916,
activity:165917,
activity:165918,
activity:165919,
activity:165920,
activity:165921,
activity:165922,
activity:165923,
activity:165924,
activity:165925,
activity:165926,
activity:165927,
activity:165928,
activity:165929,
activity:169027,
activity:169028,
activity:205744,
activity:239786,
activity:239787,
activity:239788,
activity:314921,
activity:314922,
activity:379073,
activity:379074,
activity:379075,
activity:379076,
activity:379077,
activity:379078,
activity:379079,
activity:481474,
activity:481475,
activity:481476,
activity:481477,
activity:481478,
activity:481479,
activity:481480,
activity:481481,
activity:481482,
activity:481483,
activity:481484,
activity:481485,
activity:517629,
activity:517630,
activity:517631,
activity:517632,
activity:517633
|
