|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H13ClO3/c1-7(12)11(13)8-4-5-9(14-2)10(6-8)15-3/h4-7H,1-3H3
|
|
chemicalCompound:standardIn... |
LOANJYULKIBXSA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1OC)C(=O)C(C)Cl
|
|
chemicalCompound:molecularF... |
C11H13ClO3
|
|
chemicalCompound:moleculeId |
481912
|
|
chemicalCompound:mwFreebase |
228.672
|
|
chemicalCompound:alogp |
2.553
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
35.53
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
2.073
|
|
chemicalCompound:acdLogD |
2.073
|
|
chemicalCompound:fullMwt |
228.672
|
|
chemicalCompound:chemblId |
CHEMBL505671
|
|
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:2540185,
activity:2540216,
activity:2540246,
activity:2541312,
activity:2541343,
activity:2541384,
activity:2541419,
activity:2541454,
activity:2541489,
activity:2541524,
activity:2541559,
activity:2541595,
activity:2541631,
activity:2542706,
activity:2542742,
activity:2542778
|
