|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2
|
|
chemicalCompound:standardIn... |
RDYMFSUJUZBWLH-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl
|
|
chemicalCompound:molecularF... |
C9H6Cl6O3S
|
|
chemicalCompound:moleculeId |
328202
|
|
chemicalCompound:mwFreebase |
406.925
|
|
chemicalCompound:alogp |
2.641
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
54.74
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.83
|
|
chemicalCompound:acdLogD |
3.83
|
|
chemicalCompound:fullMwt |
406.925
|
|
chemicalCompound:chemblId |
CHEMBL194399
|
|
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 |
ENDOSULFAN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:1605737,
activity:2465217,
activity:2465246,
activity:2465263,
activity:2465274,
activity:3657968,
activity:3698393,
activity:3768669,
activity:3902776,
activity:3903956,
activity:3919654,
activity:3925266,
activity:4057154,
activity:4078750,
activity:4370531,
activity:4586695,
activity:4655868,
activity:4670722,
activity:4723431,
activity:4783615,
activity:4832360,
activity:4865028,
activity:4868844,
activity:4872808,
activity:4980597,
activity:5005978,
activity:5019553,
activity:5022690,
activity:5065258,
activity:5074442,
activity:5078224,
activity:5959714,
activity:6468098,
activity:7012537,
activity:7062867,
activity:7475557
|
