|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H13FN2OS/c17-11-7-5-10(6-8-11)15(20)19-16-13(9-18)12-3-1-2-4-14(12)21-16/h5-8H,1-4H2,(H,19,20)
|
|
chemicalCompound:standardIn... |
ONINFKOEYCCERZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(cc1)C(=O)Nc2sc3CCCCc3c2C#N
|
|
chemicalCompound:molecularF... |
C16H13FN2OS
|
|
chemicalCompound:moleculeId |
396428
|
|
chemicalCompound:mwFreebase |
300.351
|
|
chemicalCompound:alogp |
3.868
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
81.13
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
12.071
|
|
chemicalCompound:acdLogP |
3.585
|
|
chemicalCompound:acdLogD |
3.585
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
300.351
|
|
chemicalCompound:chemblId |
CHEMBL397570
|
|
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:1964174,
activity:1964186,
activity:1964224,
activity:7347486,
activity:8068619,
activity:8068620,
activity:8068621,
activity:8068622,
activity:8068623,
activity:8068624,
activity:8068625,
activity:8068626,
activity:8068627,
activity:8068628,
activity:8068629,
activity:8068630,
activity:8068631,
activity:8068632,
activity:8068633,
activity:8068634,
activity:8068635,
activity:8068636,
activity:8068637,
activity:8068638,
activity:8068639,
activity:8068640,
activity:8068641,
activity:8068642,
activity:8068643,
activity:8068644,
activity:8068645,
activity:8068646,
activity:8068647,
activity:8068648,
activity:8068649,
activity:8068650,
activity:8068651,
activity:8068652,
activity:8068653,
activity:8068654,
activity:8068655,
activity:8068656,
activity:8068657,
activity:8068658,
activity:8068659,
activity:8068660,
activity:8068661,
activity:8068662,
activity:8068663,
activity:8068664,
activity:8068665,
activity:8068666,
activity:8068667,
activity:8068668,
activity:8068669,
activity:8068670,
activity:8068671,
activity:8068672,
activity:8068673,
activity:8068674,
activity:8068675,
activity:8068676,
activity:8068677,
activity:8068678,
activity:8068679,
activity:8068680,
activity:8068681
|
