|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H23NO/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17/h6-9,14H,3-5,10-12H2,1-2H3
|
|
chemicalCompound:standardIn... |
FSKFPVLPFLJRQB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(CN1CCCCC1)C(=O)c2ccc(C)cc2
|
|
chemicalCompound:molecularF... |
C16H23NO
|
|
chemicalCompound:moleculeId |
611591
|
|
chemicalCompound:mwFreebase |
245.36
|
|
chemicalCompound:alogp |
3.69
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
20.31
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.01
|
|
chemicalCompound:acdLogD |
1.907
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
245.36
|
|
chemicalCompound:acdMostBpk... |
8.472
|
|
chemicalCompound:chemblId |
CHEMBL1076211
|
|
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 |
TOLPERISONE
|
|
chemicalCompound:activity |
activity:3218656,
activity:5317914,
activity:5318865,
activity:5319816,
activity:5329172,
activity:7819446,
activity:7819447,
activity:7819448,
activity:7819449,
activity:7819450,
activity:7819451,
activity:7819452,
activity:7819453,
activity:7819454,
activity:7819455,
activity:7819456,
activity:7819457,
activity:7819458,
activity:7819459,
activity:7819460,
activity:7819461,
activity:7819462,
activity:7819463,
activity:7819464,
activity:7819465,
activity:7819466,
activity:7819467,
activity:7819468,
activity:7819469,
activity:7819470,
activity:7819471,
activity:7819472,
activity:7819473,
activity:7819474,
activity:7819475,
activity:7819476,
activity:7819477,
activity:7819478,
activity:7819479,
activity:7819480,
activity:7819481,
activity:7819482,
activity:7819483,
activity:7819484,
activity:7819485,
activity:7819486,
activity:7819487,
activity:7821479,
activity:7821480,
activity:7821481,
activity:7821482,
activity:7821483,
activity:7821484,
activity:7821485,
activity:7821486,
activity:7821487,
activity:7821488,
activity:7821489,
activity:7821490,
activity:7821491,
activity:7821492,
activity:7821493,
activity:7821494,
activity:7821495,
activity:7821496
|
