|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
|
|
chemicalCompound:standardIn... |
JFIOVJDNOJYLKP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O
|
|
chemicalCompound:molecularF... |
C12H6Cl4O2S
|
|
chemicalCompound:moleculeId |
46656
|
|
chemicalCompound:mwFreebase |
356.052
|
|
chemicalCompound:alogp |
6.122
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
65.76
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.254
|
|
chemicalCompound:acdLogP |
5.046
|
|
chemicalCompound:acdLogD |
3.365
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
356.052
|
|
chemicalCompound:chemblId |
CHEMBL290106
|
|
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 |
BITHIONOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:627873,
activity:627874,
activity:3421327,
activity:3607843,
activity:3635529,
activity:3654852,
activity:3657107,
activity:3657776,
activity:3657923,
activity:3675090,
activity:3684110,
activity:3685731,
activity:3698362,
activity:3735026,
activity:3738251,
activity:3753491,
activity:3769450,
activity:3772643,
activity:3774703,
activity:3778812,
activity:3800137,
activity:3832526,
activity:3877270,
activity:3894417,
activity:3894517,
activity:3903930,
activity:3919612,
activity:3919857,
activity:3921818,
activity:3942272,
activity:3951254,
activity:3963226,
activity:3996325,
activity:4019090,
activity:4056572,
activity:4072065,
activity:4084556,
activity:4084825,
activity:4103109,
activity:4106287,
activity:4120287,
activity:4128708,
activity:4128937,
activity:4288734,
activity:4291366,
activity:4303844,
activity:4389699,
activity:4405215,
activity:4416381,
activity:4419547,
activity:4442344,
activity:4445535,
activity:4492865,
activity:4520759,
activity:4532918,
activity:4533141,
activity:4535345,
activity:4536786,
activity:4538561,
activity:4548598,
activity:4590580,
activity:4643486
|
