|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
|
|
chemicalCompound:standardIn... |
AHJKRLASYNVKDZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
|
|
chemicalCompound:molecularF... |
C14 H10 Cl4
|
|
chemicalCompound:moleculeId |
327978
|
|
chemicalCompound:mwFreebase |
320.041
|
|
chemicalCompound:alogp |
5.745
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.818
|
|
chemicalCompound:acdLogD |
5.818
|
|
chemicalCompound:fullMwt |
320.041
|
|
chemicalCompound:chemblId |
CHEMBL196590
|
|
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:chebiParen... |
|
|
chemicalCompound:activity |
activity:1605571,
activity:3768684,
activity:3769482,
activity:3912959,
activity:3927931,
activity:4057177,
activity:4370545,
activity:4546959,
activity:4586712,
activity:4659747,
activity:4723462,
activity:4727069,
activity:4783636,
activity:4865065,
activity:5022702,
activity:5078238,
activity:5973370,
activity:6445114,
activity:6468053,
activity:6562393,
activity:6754277,
activity:6962323,
activity:7011318,
activity:7012689,
activity:7026234,
activity:7047018,
activity:7052375,
activity:7062984,
activity:7227865,
activity:7442742,
activity:7458087,
activity:7460804,
activity:7464449,
activity:7551403
|
