|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
|
|
chemicalCompound:standardIn... |
FFWOKTFYGVYKIR-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
|
|
chemicalCompound:molecularF... |
C16H12O5
|
|
chemicalCompound:moleculeId |
61248
|
|
chemicalCompound:mwFreebase |
284.263
|
|
chemicalCompound:alogp |
2.794
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
83.83
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.226
|
|
chemicalCompound:acdLogP |
5.078
|
|
chemicalCompound:acdLogD |
3.171
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
284.263
|
|
chemicalCompound:chemblId |
CHEMBL42624
|
|
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 |
PHYSCION
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:41885,
activity:929434,
activity:929435,
activity:932826,
activity:932827,
activity:932828,
activity:932829,
activity:932830,
activity:943906,
activity:943907,
activity:1032372,
activity:1032373,
activity:1032374,
activity:1676815,
activity:1676818,
activity:1676822,
activity:1676826,
activity:1676830,
activity:1676834,
activity:1868309,
activity:1868333,
activity:2177220,
activity:2177237,
activity:2177254,
activity:2200265,
activity:2202691,
activity:2230947,
activity:2230964,
activity:2310639,
activity:2310735,
activity:2310739,
activity:2427220,
activity:2427231,
activity:2442630,
activity:2442631,
activity:2442632,
activity:2442633,
activity:2443636,
activity:2449998,
activity:2450007,
activity:2450016,
activity:2450025,
activity:2450402,
activity:2450411,
activity:2546491,
activity:2550379,
activity:2550392,
activity:2627008,
activity:2627040,
activity:3706080,
activity:4031387,
activity:4143087,
activity:4464435,
activity:4771942,
activity:4821026,
activity:5137330,
activity:5137342,
activity:6435848,
activity:7029366,
activity:7548574,
activity:8269018,
activity:8315981,
activity:8386029,
activity:8419460
|
