|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
|
|
chemicalCompound:standardIn... |
OIPILFWXSMYKGL-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)OCC[N+](C)(C)C
|
|
chemicalCompound:molecularF... |
C7H16NO2
|
|
chemicalCompound:moleculeId |
27812
|
|
chemicalCompound:mwFreebase |
146.207
|
|
chemicalCompound:alogp |
-1.195
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
26.3
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-3.404
|
|
chemicalCompound:acdLogD |
-3.404
|
|
chemicalCompound:fullMwt |
146.207
|
|
chemicalCompound:chemblId |
CHEMBL667
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ACETYLCHOLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:85231,
activity:85232,
activity:85233,
activity:85234,
activity:86958,
activity:86959,
activity:86960,
activity:86961,
activity:86962,
activity:86963,
activity:86964,
activity:86965,
activity:86966,
activity:86967,
activity:101975,
activity:101976,
activity:101977,
activity:101978,
activity:101979,
activity:191084,
activity:191085,
activity:191086,
activity:191087,
activity:194531,
activity:194532,
activity:194533,
activity:194534,
activity:204648,
activity:278649,
activity:278650,
activity:278651,
activity:278652,
activity:278653,
activity:278654,
activity:278655,
activity:278656,
activity:278657,
activity:278658,
activity:278659,
activity:284128,
activity:284129,
activity:284130,
activity:284131,
activity:336414,
activity:336415,
activity:336416,
activity:336417,
activity:402767,
activity:402768,
activity:432054,
activity:580903,
activity:580904,
activity:580905,
activity:614664,
activity:614665,
activity:614666,
activity:714062,
activity:714063,
activity:714064,
activity:714065,
activity:714066,
activity:714067,
activity:930058,
activity:930059,
activity:930060,
activity:974860
|
