|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:1280_8-hour bayer_TRADE_NAME,
synonym:1280_Acetosalic Acid_TRADE_NAME,
synonym:1280_Acetylsalicylic Acid_INN,
synonym:1280_Acetylsalicylic Acid_TRADE_NAME,
synonym:1280_Aspirin_BAN,
synonym:1280_Aspirin_FDA_ALTERNATIVE_NAME,
synonym:1280_Aspirin_JAN,
synonym:1280_Aspirin_USAN,
synonym:1280_Aspirin_USP,
synonym:1280_Bayer extra strength aspirin for migraine pain_TRADE_NAME,
synonym:1280_Ecotrin_TRADE_NAME,
synonym:1280_Equi-Prin_TRADE_NAME,
synonym:1280_Measurin_TRADE_NAME,
synonym:1280_Salicylic Acid Acetate_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
|
|
chemicalCompound:standardIn... |
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)Oc1ccccc1C(=O)O
|
|
chemicalCompound:molecularF... |
C9H8O4
|
|
chemicalCompound:moleculeId |
1280
|
|
chemicalCompound:mwFreebase |
180.157
|
|
chemicalCompound:alogp |
1.227
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
63.6
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
3.482
|
|
chemicalCompound:acdLogP |
1.399
|
|
chemicalCompound:acdLogD |
-1.683
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
180.157
|
|
chemicalCompound:chemblId |
CHEMBL25
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
ASPIRIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:42173,
activity:81965,
activity:81966,
activity:88326,
activity:88327,
activity:88328,
activity:88329,
activity:91852,
activity:91853,
activity:98177,
activity:98892,
activity:110238,
activity:122608,
activity:122609,
activity:122610,
activity:122611,
activity:122612,
activity:129040,
activity:129041,
activity:164569,
activity:209449,
activity:209450,
activity:209451,
activity:209452,
activity:223619,
activity:223620,
activity:278684,
activity:278685,
activity:285781,
activity:297357,
activity:308369,
activity:308370,
activity:308371,
activity:337502,
activity:337503,
activity:337504,
activity:337505,
activity:337506,
activity:337507,
activity:337508,
activity:337509,
activity:346256,
activity:346257,
activity:346258,
activity:346259,
activity:346260,
activity:346261,
activity:363803,
activity:363804,
activity:392578,
activity:392579
|
