|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H8O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,11-13H
|
|
chemicalCompound:standardIn... |
NHEVNUARLCWEED-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1ccc(O)c2c(O)cccc12
|
|
chemicalCompound:molecularF... |
C10H8O3
|
|
chemicalCompound:moleculeId |
755129
|
|
chemicalCompound:mwFreebase |
176.169
|
|
chemicalCompound:alogp |
2.012
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
60.69
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.841
|
|
chemicalCompound:acdLogP |
0.649
|
|
chemicalCompound:acdLogD |
-0.049
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
176.169
|
|
chemicalCompound:chemblId |
CHEMBL1331245
|
|
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:3607799,
activity:3657929,
activity:3673491,
activity:3675198,
activity:3685951,
activity:3698368,
activity:3772649,
activity:3774709,
activity:3777963,
activity:3778819,
activity:3894524,
activity:3902731,
activity:3903934,
activity:3919618,
activity:3921002,
activity:3939593,
activity:3942277,
activity:3951260,
activity:3986477,
activity:4013688,
activity:4106294,
activity:4291372,
activity:4445659,
activity:4548641,
activity:4618214,
activity:4670675,
activity:4714000,
activity:4787834,
activity:4841160,
activity:4863538,
activity:4867847,
activity:4868806,
activity:4872769,
activity:4896329,
activity:4901523,
activity:4902004,
activity:4905472,
activity:4976410,
activity:4980557,
activity:5019524,
activity:5065228,
activity:5861233,
activity:7011337
|
