|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
|
|
chemicalCompound:standardIn... |
SXRSQZLOMIGNAQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=CCCCC=O
|
|
chemicalCompound:molecularF... |
C5H8O2
|
|
chemicalCompound:moleculeId |
697832
|
|
chemicalCompound:mwFreebase |
100.116
|
|
chemicalCompound:alogp |
0.141
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
34.14
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-0.264
|
|
chemicalCompound:acdLogD |
-0.264
|
|
chemicalCompound:fullMwt |
100.116
|
|
chemicalCompound:chemblId |
CHEMBL1235482
|
|
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 |
PENTANEDIAL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3607859,
activity:3658018,
activity:3698430,
activity:3769489,
activity:3773550,
activity:3774783,
activity:3778893,
activity:3894584,
activity:3902832,
activity:3903993,
activity:3919697,
activity:3942333,
activity:3951331,
activity:4057197,
activity:4106370,
activity:4291449,
activity:4586723,
activity:4670777,
activity:4717842,
activity:4749348,
activity:4865083,
activity:4868896,
activity:4872862,
activity:4896403,
activity:4901591,
activity:4902070,
activity:4976487,
activity:4980642,
activity:5019590,
activity:5068994,
activity:5180344,
activity:5180386,
activity:5180408,
activity:5180409,
activity:5180410,
activity:5180411,
activity:5180412,
activity:5180413,
activity:5180414,
activity:5180415,
activity:5180416,
activity:5180417,
activity:6544637,
activity:6562305,
activity:7046941,
activity:7048515,
activity:7165865,
activity:7224192,
activity:7562816
|
