|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
|
|
chemicalCompound:standardIn... |
CVUGPAFCQJIYDT-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl
|
|
chemicalCompound:molecularF... |
C14 H9 Cl5
|
|
chemicalCompound:moleculeId |
328176
|
|
chemicalCompound:mwFreebase |
354.486
|
|
chemicalCompound:alogp |
6.331
|
|
chemicalCompound:hba |
0
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
0
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.817
|
|
chemicalCompound:acdLogD |
5.817
|
|
chemicalCompound:fullMwt |
354.486
|
|
chemicalCompound:chemblId |
CHEMBL364900
|
|
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:1605718,
activity:3922714,
activity:4106273,
activity:4132055,
activity:4618610,
activity:4647766,
activity:4670651,
activity:4864956,
activity:5967631,
activity:6445165,
activity:6447127,
activity:6468097,
activity:6471521,
activity:6584660,
activity:6735626,
activity:6746853,
activity:7005017,
activity:7044980
|
