|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H
|
|
chemicalCompound:standardIn... |
MCJGNVYPOGVAJF-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1cccc2cccnc12
|
|
chemicalCompound:molecularF... |
C9H7NO
|
|
chemicalCompound:moleculeId |
130007
|
|
chemicalCompound:mwFreebase |
145.158
|
|
chemicalCompound:alogp |
1.774
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
33.12
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
Y
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
5.058
|
|
chemicalCompound:acdLogP |
1.901
|
|
chemicalCompound:acdLogD |
0.818
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
145.158
|
|
chemicalCompound:acdMostBpk... |
9.81
|
|
chemicalCompound:chemblId |
CHEMBL310555
|
|
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 |
OXYQUINOLINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:110957,
activity:110958,
activity:110959,
activity:110960,
activity:110961,
activity:587744,
activity:587745,
activity:587746,
activity:731273,
activity:731274,
activity:731275,
activity:731276,
activity:1811195,
activity:1811198,
activity:1811217,
activity:1811219,
activity:1847847,
activity:2385816,
activity:2385817,
activity:2385818,
activity:2385847,
activity:2385848,
activity:2385863,
activity:2663457,
activity:2663458,
activity:2663459,
activity:2663460,
activity:2663461,
activity:2663462,
activity:2663463,
activity:2663464,
activity:2663465,
activity:2663466,
activity:2663467,
activity:2663468,
activity:2988385,
activity:2998016,
activity:3353670,
activity:3353695,
activity:3353725,
activity:3353793,
activity:3353837,
activity:3353869,
activity:3354126,
activity:3354157,
activity:3364318,
activity:3364360,
activity:3364365,
activity:3364374,
activity:3539293,
activity:3539359,
activity:3539425,
activity:3539491,
activity:3607762,
activity:3607835,
activity:3657988,
activity:3658030,
activity:3684599,
activity:3698409,
activity:3698439,
activity:3768681,
activity:3768698,
activity:3773523
|
