|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
|
|
chemicalCompound:standardIn... |
ACMLKANOGIVEPB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)C1=Cc2ccccc2OC1=O
|
|
chemicalCompound:molecularF... |
C10H6O4
|
|
chemicalCompound:moleculeId |
137611
|
|
chemicalCompound:mwFreebase |
190.152
|
|
chemicalCompound:alogp |
1.489
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
63.6
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
1.841
|
|
chemicalCompound:acdLogP |
0.94
|
|
chemicalCompound:acdLogD |
-2.803
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
190.152
|
|
chemicalCompound:chemblId |
CHEMBL83294
|
|
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:468522,
activity:2978920,
activity:2978941,
activity:2978962,
activity:2978983,
activity:2997055,
activity:2997076,
activity:2997097,
activity:2997118,
activity:2997139,
activity:2997160,
activity:2997181,
activity:2997202,
activity:2997223,
activity:3914425,
activity:4090519,
activity:4342237,
activity:4448821,
activity:4688741,
activity:4691258,
activity:5524217,
activity:5665717,
activity:5729042,
activity:7381540,
activity:8280944,
activity:8283604,
activity:8284812,
activity:8311985,
activity:8330799,
activity:8336284,
activity:8345949,
activity:8380771,
activity:8382288,
activity:8415698,
activity:8435532,
activity:8466721,
activity:8477456,
activity:8504211,
activity:8506018,
activity:8519406,
activity:8535940,
activity:8551394,
activity:8566765,
activity:8627975,
activity:8640905,
activity:8643225,
activity:8672726,
activity:8688325,
activity:8708443,
activity:8732489,
activity:8735148,
activity:8758875,
activity:8761281,
activity:8802885,
activity:8836587,
activity:8861094,
activity:8863156,
activity:8888268,
activity:8894155,
activity:8910191,
activity:8939143,
activity:8957529,
activity:8973418,
activity:9002255,
activity:9021148,
activity:9035779,
activity:9088081
|
