rdf:type |
|
chemicalCompound:synonym |
|
chemicalCompound:standardIn... |
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
|
chemicalCompound:standardIn... |
JUJWROOIHBZHMG-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
c1ccncc1
|
chemicalCompound:molecularF... |
C5H5N
|
chemicalCompound:moleculeId |
13349
|
chemicalCompound:mwFreebase |
79.0999
|
chemicalCompound:alogp |
0.679
|
chemicalCompound:hba |
1
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
12.89
|
chemicalCompound:rtb |
0
|
chemicalCompound:ro3Pass |
Y
|
chemicalCompound:numRo5viol... |
0
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
0.836
|
chemicalCompound:acdLogD |
0.833
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
79.0999
|
chemicalCompound:acdMostBpk... |
5.229
|
chemicalCompound:chemblId |
CHEMBL266158
|
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 |
PYRIDINE
|
chemicalCompound:chebiParen... |
|
chemicalCompound:activity |
activity:284997,
activity:369144,
activity:369145,
activity:369146,
activity:643669,
activity:645997,
activity:776682,
activity:776683,
activity:776684,
activity:776685,
activity:776686,
activity:776687,
activity:1015337,
activity:1015338,
activity:1204989,
activity:1204990,
activity:1204991,
activity:1204992,
activity:1204993,
activity:1295231,
activity:1295232,
activity:1504148,
activity:2055350,
activity:2055457,
activity:2274395,
activity:2274396,
activity:2274397,
activity:2274398,
activity:2395369,
activity:2456591,
activity:2456592,
activity:2456712,
activity:2456721,
activity:2556754,
activity:3924830,
activity:3941734,
activity:4620363,
activity:4633455,
activity:8026333
|