|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
|
|
chemicalCompound:standardIn... |
VEQOALNAAJBPNY-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CN1N(C(=O)C=C1C)c2ccccc2
|
|
chemicalCompound:molecularF... |
C11H12N2O
|
|
chemicalCompound:moleculeId |
26820
|
|
chemicalCompound:mwFreebase |
188.226
|
|
chemicalCompound:alogp |
1.218
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
23.55
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
0.441
|
|
chemicalCompound:acdLogD |
0.441
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
188.226
|
|
chemicalCompound:acdMostBpk... |
0.65
|
|
chemicalCompound:chemblId |
CHEMBL277474
|
|
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 |
ANTIPYRINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:45693,
activity:63959,
activity:63960,
activity:63961,
activity:102725,
activity:102726,
activity:102727,
activity:102728,
activity:107067,
activity:107068,
activity:107069,
activity:107070,
activity:107071,
activity:107072,
activity:107316,
activity:107317,
activity:107318,
activity:107319,
activity:107320,
activity:107321,
activity:107322,
activity:107323,
activity:107958,
activity:320553,
activity:393768,
activity:459790,
activity:459791,
activity:459792,
activity:553971,
activity:553972,
activity:553973,
activity:700787,
activity:700788,
activity:700789,
activity:837809,
activity:935449,
activity:935450,
activity:935451,
activity:935452,
activity:935453,
activity:935454,
activity:1013565,
activity:1406111,
activity:1406112,
activity:1406113,
activity:1406114,
activity:1406115,
activity:1504563,
activity:1737846,
activity:1737849,
activity:1737852,
activity:1737853,
activity:1737857,
activity:1737894,
activity:1738392,
activity:1738399,
activity:1738439,
activity:1738442,
activity:1879210,
activity:1879369,
activity:1879370
|
