|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
|
|
chemicalCompound:standardIn... |
GJAWHXHKYYXBSV-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)c1cccnc1C(=O)O
|
|
chemicalCompound:molecularF... |
C7H5NO4
|
|
chemicalCompound:moleculeId |
31911
|
|
chemicalCompound:mwFreebase |
167.119
|
|
chemicalCompound:alogp |
0.367
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
87.49
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.522
|
|
chemicalCompound:acdLogP |
-0.441
|
|
chemicalCompound:acdLogD |
-4.573
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
167.119
|
|
chemicalCompound:acdMostBpk... |
5.12
|
|
chemicalCompound:chemblId |
CHEMBL286204
|
|
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 |
QUINOLINIC ACID
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:249375,
activity:249376,
activity:249377,
activity:249378,
activity:249379,
activity:861223,
activity:861224,
activity:1127979,
activity:2123854,
activity:2123855,
activity:2123856,
activity:2123857,
activity:2123858,
activity:2123859,
activity:2123860,
activity:2123861,
activity:2123910,
activity:2123911,
activity:2188892,
activity:2188896,
activity:2188900,
activity:2188904,
activity:2188917,
activity:2188918,
activity:2188919,
activity:2396944,
activity:2396962,
activity:3473010,
activity:3701322,
activity:3712146,
activity:3742386,
activity:3925570,
activity:4128264,
activity:4360048,
activity:4444071,
activity:4514134,
activity:4516192,
activity:4531600,
activity:4588435,
activity:4598847,
activity:4620118,
activity:4621083,
activity:4647882,
activity:4741961,
activity:4913813,
activity:4916501,
activity:4973449,
activity:5042439,
activity:5072954,
activity:5193415,
activity:5193473,
activity:5193645,
activity:5193663,
activity:5194085,
activity:5194125,
activity:5194239,
activity:5194265,
activity:5194323,
activity:5364254,
activity:5569229,
activity:5620656,
activity:5639348,
activity:5711302,
activity:5769495
|
