|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11Cl2NO2.Na/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1
|
|
chemicalCompound:standardIn... |
KPHWPUGNDIVLNH-UHFFFAOYSA-M
|
|
chemicalCompound:canonicalS... |
[Na+].[O-]C(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
|
|
chemicalCompound:molecularF... |
C14H10Cl2NNaO2
|
|
chemicalCompound:moleculeId |
123693
|
|
chemicalCompound:mwFreebase |
296.149
|
|
chemicalCompound:alogp |
4.373
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
49.33
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.176
|
|
chemicalCompound:acdLogP |
4.548
|
|
chemicalCompound:acdLogD |
1.437
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
318.13
|
|
chemicalCompound:chemblId |
CHEMBL1034
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DICLOFENAC SODIUM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1988
|
|
chemicalCompound:activity |
activity:52453,
activity:52454,
activity:52455,
activity:52456,
activity:533616,
activity:533617,
activity:533618,
activity:533619,
activity:533620,
activity:533621,
activity:750127,
activity:825389,
activity:1192839,
activity:1192840,
activity:1192841,
activity:1192842,
activity:1192843,
activity:1192844,
activity:1192845,
activity:1192846,
activity:1192847,
activity:1480411,
activity:1480412,
activity:1504274,
activity:1654354,
activity:1761007,
activity:1761008,
activity:1761009,
activity:1761010,
activity:1761011,
activity:1761012,
activity:1763536,
activity:1819326,
activity:1819327,
activity:1819337,
activity:1819338,
activity:1890384,
activity:1935313,
activity:1938957,
activity:1938958,
activity:1938992,
activity:1945802,
activity:2141483,
activity:2141484,
activity:2141485,
activity:2141548,
activity:2141557,
activity:2141558,
activity:2141559,
activity:2348672,
activity:2386694,
activity:2386707,
activity:2386720
|
