|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
|
|
chemicalCompound:standardIn... |
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
|
|
chemicalCompound:canonicalS... |
O=C\C=C\c1ccccc1
|
|
chemicalCompound:molecularF... |
C9H8O
|
|
chemicalCompound:moleculeId |
81858
|
|
chemicalCompound:mwFreebase |
132.159
|
|
chemicalCompound:alogp |
1.949
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.07
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
1.9
|
|
chemicalCompound:acdLogD |
1.9
|
|
chemicalCompound:fullMwt |
132.159
|
|
chemicalCompound:chemblId |
CHEMBL293492
|
|
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 |
CINNAMALDEHYDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:613375,
activity:1972149,
activity:2146821,
activity:2146832,
activity:2146833,
activity:2146834,
activity:2185358,
activity:2185359,
activity:2185360,
activity:2185361,
activity:2185362,
activity:2185363,
activity:2185364,
activity:2185365,
activity:2185366,
activity:2185367,
activity:2185368,
activity:2185369,
activity:2232613,
activity:2261057,
activity:2261060,
activity:2261061,
activity:2261064,
activity:2313881,
activity:2313912,
activity:2323392,
activity:2436537,
activity:2436543,
activity:2436549,
activity:2546507,
activity:2546514,
activity:3088825,
activity:3215965,
activity:3301072,
activity:3418267,
activity:3651707,
activity:3921426,
activity:4100447,
activity:4128439,
activity:4190285,
activity:4301569,
activity:4525395,
activity:6166841,
activity:7701465,
activity:7701466,
activity:7701467,
activity:7701468,
activity:7701469,
activity:7701470,
activity:7701471,
activity:7701472,
activity:7701473,
activity:7701474,
activity:7701475,
activity:7701476,
activity:7701477,
activity:7701478,
activity:7701479,
activity:7701480,
activity:7701481,
activity:7701482,
activity:7701483,
activity:7701484,
activity:7701485,
activity:7701486,
activity:7701487,
activity:7701488
|
