|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2
|
|
chemicalCompound:standardIn... |
ZFIVKAOQEXOYFY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
C1OC1C2CO2
|
|
chemicalCompound:molecularF... |
C4H6O2
|
|
chemicalCompound:moleculeId |
1285574
|
|
chemicalCompound:mwFreebase |
86.0892
|
|
chemicalCompound:alogp |
-0.386
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
25.06
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
-0.52
|
|
chemicalCompound:acdLogD |
-0.52
|
|
chemicalCompound:fullMwt |
86.0892
|
|
chemicalCompound:chemblId |
CHEMBL1964283
|
|
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:activity |
activity:8258214,
activity:8323102,
activity:8404390,
activity:8437790,
activity:8448686,
activity:8513064,
activity:8533033,
activity:8607470,
activity:8609663,
activity:8781091,
activity:8783555,
activity:8813468,
activity:8912049,
activity:8932579,
activity:8979756,
activity:9008924,
activity:9020221,
activity:9105826,
activity:9112545,
activity:9160249,
activity:9196946,
activity:9217653,
activity:9225754,
activity:9298475,
activity:9302006,
activity:9318755,
activity:9379402,
activity:9447724,
activity:9458940,
activity:9632536,
activity:9697846,
activity:9718655,
activity:9720346,
activity:9804327,
activity:9871391,
activity:9900390,
activity:9934089,
activity:9972004,
activity:10086933,
activity:10089268,
activity:10225776,
activity:10258382,
activity:10261017,
activity:10376824,
activity:10446495,
activity:10488360,
activity:10502456,
activity:10550612,
activity:10603449,
activity:10610828,
activity:10630210,
activity:10713195,
activity:10733391,
activity:10801537,
activity:10816839
|
