|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
|
|
chemicalCompound:standardIn... |
MFDFERRIHVXMIY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCN(CC)CCOC(=O)c1ccc(N)cc1
|
|
chemicalCompound:molecularF... |
C13H20N2O2
|
|
chemicalCompound:moleculeId |
16581
|
|
chemicalCompound:mwFreebase |
236.31
|
|
chemicalCompound:alogp |
1.775
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
55.56
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.256
|
|
chemicalCompound:acdLogD |
0.417
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
236.31
|
|
chemicalCompound:acdMostBpk... |
9.239
|
|
chemicalCompound:chemblId |
CHEMBL569
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PROCAINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:67442,
activity:301213,
activity:352492,
activity:352493,
activity:403415,
activity:403416,
activity:1253714,
activity:1504402,
activity:2068035,
activity:2068052,
activity:2157536,
activity:2157537,
activity:2211996,
activity:2511083,
activity:2511129,
activity:2511168,
activity:2511207,
activity:2589780,
activity:2606907,
activity:2606991,
activity:3068353,
activity:3068405,
activity:3068440,
activity:3391044,
activity:3391045,
activity:3391046,
activity:3391047,
activity:3391048,
activity:3391049,
activity:3391050,
activity:3391051,
activity:3391052,
activity:3391053,
activity:3391054,
activity:3391055,
activity:3391056,
activity:3391057,
activity:3391058,
activity:3391059,
activity:3468722,
activity:3523484,
activity:3523486,
activity:3914878,
activity:4747035,
activity:4807386,
activity:4853985,
activity:4990104,
activity:4998369,
activity:5083721,
activity:5315883,
activity:5516380,
activity:5720473,
activity:5993723,
activity:5999289,
activity:6009994,
activity:6013293,
activity:6025447,
activity:6041327,
activity:6044556,
activity:6046039
|
