|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2
|
|
chemicalCompound:standardIn... |
QBYJBZPUGVGKQQ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl
|
|
chemicalCompound:molecularF... |
C12 H8 Cl6
|
|
chemicalCompound:moleculeId |
328171
|
|
chemicalCompound:mwFreebase |
364.91
|
|
chemicalCompound:alogp |
4.264
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
0
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
6.23
|
|
chemicalCompound:acdLogD |
6.23
|
|
chemicalCompound:fullMwt |
364.91
|
|
chemicalCompound:chemblId |
CHEMBL195953
|
|
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:activity |
activity:1605585,
activity:3607451,
activity:3658001,
activity:3698417,
activity:3768686,
activity:3774767,
activity:3778877,
activity:3894571,
activity:3902811,
activity:3903979,
activity:3919682,
activity:3942321,
activity:3951317,
activity:4057179,
activity:4078765,
activity:4106357,
activity:4291434,
activity:4370547,
activity:4529030,
activity:4586714,
activity:4659793,
activity:4670758,
activity:4714059,
activity:4723464,
activity:4749338,
activity:4865068,
activity:4868878,
activity:4872845,
activity:4901578,
activity:4902055,
activity:4957382,
activity:4976470,
activity:4980624,
activity:5019575,
activity:5022704,
activity:5026739,
activity:5068980,
activity:5078240,
activity:6445164,
activity:6468095,
activity:6742952,
activity:6958472,
activity:7012697,
activity:7458093
|
