|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H6O3/c11-5-7-6-13-9-4-2-1-3-8(9)10(7)12/h1-6H
|
|
chemicalCompound:standardIn... |
FSMYWBQIMDSGQP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
O=CC1=COc2ccccc2C1=O
|
|
chemicalCompound:molecularF... |
C10H6O3
|
|
chemicalCompound:moleculeId |
137579
|
|
chemicalCompound:mwFreebase |
174.153
|
|
chemicalCompound:alogp |
1
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
43.37
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.187
|
|
chemicalCompound:acdLogD |
1.187
|
|
chemicalCompound:fullMwt |
174.153
|
|
chemicalCompound:chemblId |
CHEMBL86905
|
|
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:activity |
activity:452889,
activity:2421197,
activity:3460651,
activity:3460679,
activity:3460683,
activity:3460697,
activity:8237193,
activity:8293456,
activity:8358172,
activity:8368827,
activity:8391996,
activity:8480520,
activity:8545306,
activity:8565458,
activity:8630316,
activity:8641999,
activity:8711026,
activity:8713305,
activity:8750971,
activity:8762385,
activity:8848404,
activity:8855162,
activity:8886234,
activity:8954192,
activity:8987150,
activity:9054601,
activity:9057790,
activity:9150954,
activity:9171066,
activity:9272729,
activity:9279417,
activity:9339397,
activity:9413181,
activity:9415771,
activity:9492230,
activity:9498856,
activity:9505836,
activity:9699521,
activity:9771390,
activity:9850532,
activity:9879561,
activity:9917578,
activity:10016694,
activity:10025001,
activity:10036435,
activity:10064331,
activity:10135752,
activity:10151104,
activity:10237550,
activity:10266008,
activity:10268562,
activity:10360506,
activity:10384089,
activity:10430562,
activity:10453937,
activity:10481621,
activity:10579058,
activity:10659527,
activity:10661259,
activity:10760969,
activity:10785101
|
