|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
|
|
chemicalCompound:standardIn... |
VZCYOOQTPOCHFL-OWOJBTEDSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)\C=C\C(=O)O
|
|
chemicalCompound:molecularF... |
C4H4O4
|
|
chemicalCompound:moleculeId |
516838
|
|
chemicalCompound:mwFreebase |
116.072
|
|
chemicalCompound:alogp |
0.038
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
74.59
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdMostApk... |
3.152
|
|
chemicalCompound:acdLogP |
-0.446
|
|
chemicalCompound:acdLogD |
-5.152
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
116.072
|
|
chemicalCompound:chemblId |
CHEMBL503160
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
0
|
|
chemicalCompound:dosedIngre... |
No
|
|
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 |
FUMARIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:2182602,
activity:2182603,
activity:2182666,
activity:2202380,
activity:2202381,
activity:2396933,
activity:2396934,
activity:2396937,
activity:2397000,
activity:2529837,
activity:2529844,
activity:2715731,
activity:2715732,
activity:3131419,
activity:3131443,
activity:3131455,
activity:3131485,
activity:3131515,
activity:3131545,
activity:3131572,
activity:3132495,
activity:3917992,
activity:4057214,
activity:4691130,
activity:4836303,
activity:4865103,
activity:5945387,
activity:6178552,
activity:6804228,
activity:8243247,
activity:8267251,
activity:8316973,
activity:8336469,
activity:8376141,
activity:8417507,
activity:8446543,
activity:8461828,
activity:8526433,
activity:8542137,
activity:8589726,
activity:8622983,
activity:8790127,
activity:8792615,
activity:8816208,
activity:8822662,
activity:8874395,
activity:8925376,
activity:8964732,
activity:8988772,
activity:9034510,
activity:9118960,
activity:9125578,
activity:9169334,
activity:9206084,
activity:9238852,
activity:9307486,
activity:9315156,
activity:9388344,
activity:9460676,
activity:9471884,
activity:9645059,
activity:9727569,
activity:9733515,
activity:9813006
|
