|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H13ClO/c1-11(18)17(19)16-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)16/h2-11H,1H3
|
|
chemicalCompound:standardIn... |
BUSRBHRAAYVPFE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(Cl)C(=O)c1cc2ccccc2c3ccccc13
|
|
chemicalCompound:molecularF... |
C17H13ClO
|
|
chemicalCompound:moleculeId |
481965
|
|
chemicalCompound:mwFreebase |
268.738
|
|
chemicalCompound:alogp |
4.403
|
|
chemicalCompound:hba |
1
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
17.07
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.446
|
|
chemicalCompound:acdLogD |
4.446
|
|
chemicalCompound:fullMwt |
268.738
|
|
chemicalCompound:chemblId |
CHEMBL481846
|
|
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:2540160,
activity:2540193,
activity:2540223,
activity:2540253,
activity:2541319,
activity:2541358,
activity:2541393,
activity:2541428,
activity:2541463,
activity:2541498,
activity:2541533,
activity:2541569,
activity:2541605,
activity:2541641,
activity:2542716,
activity:2542752
|
