|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
|
|
chemicalCompound:standardIn... |
WHQCHUCQKNIQEC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3
|
|
chemicalCompound:molecularF... |
C17H12Br2O3
|
|
chemicalCompound:moleculeId |
374182
|
|
chemicalCompound:mwFreebase |
424.083
|
|
chemicalCompound:alogp |
5.604
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
50.44
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.657
|
|
chemicalCompound:acdLogP |
6.652
|
|
chemicalCompound:acdLogD |
4.052
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
424.083
|
|
chemicalCompound:chemblId |
CHEMBL388590
|
|
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 |
BENZBROMARONE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1842738,
activity:1842739,
activity:1842740,
activity:2069455,
activity:2147003,
activity:2147007,
activity:2192900,
activity:2357284,
activity:2510731,
activity:3631102,
activity:3639553,
activity:3653209,
activity:3663489,
activity:3697482,
activity:3711888,
activity:3767849,
activity:3797985,
activity:3798657,
activity:3914858,
activity:3960244,
activity:3963999,
activity:4015437,
activity:4018401,
activity:4065130,
activity:4083577,
activity:4084568,
activity:4117734,
activity:4126845,
activity:4128830,
activity:4170328,
activity:4333293,
activity:4405141,
activity:4415191,
activity:4416307,
activity:4443777,
activity:4444627,
activity:4448134,
activity:4519785,
activity:4520256,
activity:4520652,
activity:4543148,
activity:4612883,
activity:4635244,
activity:4646281,
activity:4713713,
activity:4747019,
activity:4752012,
activity:4792847,
activity:4905707,
activity:4962277,
activity:5016891,
activity:5020939,
activity:5037531,
activity:5038472,
activity:5059646,
activity:5069097,
activity:5170295,
activity:5316172,
activity:5316536,
activity:5317126,
activity:5318077,
activity:5319028,
activity:5516840,
activity:5521068
|
