|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
|
|
chemicalCompound:standardIn... |
CPJSUEIXXCENMM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCOc1ccc(NC(=O)C)cc1
|
|
chemicalCompound:molecularF... |
C10H13NO2
|
|
chemicalCompound:moleculeId |
16498
|
|
chemicalCompound:mwFreebase |
179.216
|
|
chemicalCompound:alogp |
1.282
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
38.33
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.655
|
|
chemicalCompound:acdLogD |
1.655
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
179.216
|
|
chemicalCompound:acdMostBpk... |
1.423
|
|
chemicalCompound:chemblId |
CHEMBL16073
|
|
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 |
PHENACETIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:292165,
activity:1654359,
activity:2211937,
activity:2302560,
activity:2303680,
activity:2348680,
activity:2357341,
activity:2588831,
activity:2588877,
activity:2590945,
activity:2590987,
activity:3391220,
activity:3391221,
activity:3391222,
activity:3391223,
activity:3391224,
activity:3391225,
activity:3391226,
activity:3391227,
activity:3391228,
activity:3391229,
activity:3391230,
activity:3391231,
activity:3391232,
activity:3391233,
activity:3391234,
activity:3391235,
activity:3523476,
activity:3523483,
activity:3662402,
activity:3940941,
activity:4560732,
activity:5080326,
activity:5080823,
activity:5081023,
activity:5081198,
activity:5083360,
activity:5083792,
activity:5315816,
activity:5316358,
activity:5316722,
activity:5317715,
activity:5318666,
activity:5319617,
activity:5329073,
activity:5516925,
activity:5991999,
activity:6011178,
activity:6029818,
activity:6036606,
activity:6039992,
activity:6074381,
activity:6174423,
activity:6174444,
activity:6426530,
activity:6487790,
activity:6584675,
activity:6754180,
activity:7050740,
activity:7295883,
activity:7713001,
activity:7713002,
activity:7713003
|
