|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H9ClO3/c1-8-6-12-13(14(16)18-8)11(7-17-12)9-2-4-10(15)5-3-9/h2-7H,1H3
|
|
chemicalCompound:standardIn... |
OMSVSYOKJABLKP-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC1=Cc2occ(c3ccc(Cl)cc3)c2C(=O)O1
|
|
chemicalCompound:molecularF... |
C14H9ClO3
|
|
chemicalCompound:moleculeId |
1310358
|
|
chemicalCompound:mwFreebase |
260.672
|
|
chemicalCompound:alogp |
3.465
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
39.44
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
3.689
|
|
chemicalCompound:acdLogD |
3.689
|
|
chemicalCompound:fullMwt |
260.672
|
|
chemicalCompound:chemblId |
CHEMBL1989067
|
|
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:8254031,
activity:8303614,
activity:8318769,
activity:8404663,
activity:8424801,
activity:8439995,
activity:8524269,
activity:8580629,
activity:8600949,
activity:8661640,
activity:8681964,
activity:8772573,
activity:8779364,
activity:8809245,
activity:8907838,
activity:8928422,
activity:8971332,
activity:9042784,
activity:9076268,
activity:9099338,
activity:9101577,
activity:9172734,
activity:9192700,
activity:9236706,
activity:9292016,
activity:9297654,
activity:9336569,
activity:9360530,
activity:9370919,
activity:9443565,
activity:9454636,
activity:9651879,
activity:9691650,
activity:9716285,
activity:9796096,
activity:9867281,
activity:9896253,
activity:9929945,
activity:9967810,
activity:10085050,
activity:10105441,
activity:10108835,
activity:10176618,
activity:10217342,
activity:10254204,
activity:10261073,
activity:10372812,
activity:10446543,
activity:10456771,
activity:10498327,
activity:10510383,
activity:10572071,
activity:10595434,
activity:10606817,
activity:10621714,
activity:10704568,
activity:10724698,
activity:10797463,
activity:10820474
|
