|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
|
|
chemicalCompound:standardIn... |
HJJPJSXJAXAIPN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)C1=CCCN(C)C1
|
|
chemicalCompound:molecularF... |
C8 H13 N O2
|
|
chemicalCompound:moleculeId |
1022
|
|
chemicalCompound:mwFreebase |
155.194
|
|
chemicalCompound:alogp |
0.743
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
29.54
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.2
|
|
chemicalCompound:acdLogD |
-0.775
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
155.194
|
|
chemicalCompound:acdMostBpk... |
7.842
|
|
chemicalCompound:chemblId |
CHEMBL7303
|
|
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 |
ARECOLINE
|
|
chemicalCompound:activity |
activity:66713,
activity:66714,
activity:66715,
activity:66716,
activity:66717,
activity:66718,
activity:66719,
activity:66720,
activity:66721,
activity:135631,
activity:135632,
activity:135633,
activity:146535,
activity:146536,
activity:146537,
activity:146538,
activity:146539,
activity:146540,
activity:146541,
activity:146542,
activity:146543,
activity:146544,
activity:146545,
activity:146546,
activity:146547,
activity:146548,
activity:150572,
activity:150573,
activity:150574,
activity:150575,
activity:150576,
activity:150577,
activity:150578,
activity:150579,
activity:150580,
activity:150581,
activity:150582,
activity:150583,
activity:150584,
activity:150585,
activity:150586,
activity:150587,
activity:150588,
activity:150589,
activity:191507,
activity:260133,
activity:260134,
activity:260135,
activity:269943,
activity:269944,
activity:269945,
activity:271968,
activity:271969,
activity:271970,
activity:342202,
activity:342203,
activity:352111,
activity:373518,
activity:448422,
activity:448423,
activity:448424,
activity:448425,
activity:448426,
activity:448427,
activity:510101
|
