|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H10FNO2S/c1-18-12-4-2-8(6-11(12)17)14-16-10-7-9(15)3-5-13(10)19-14/h2-7,17H,1H3
|
|
chemicalCompound:standardIn... |
APSKCJVLOANIFO-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1O)c2nc3cc(F)ccc3s2
|
|
chemicalCompound:molecularF... |
C14 H10 F N O2 S
|
|
chemicalCompound:moleculeId |
335621
|
|
chemicalCompound:mwFreebase |
275.298
|
|
chemicalCompound:alogp |
3.785
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
70.59
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.062
|
|
chemicalCompound:acdLogP |
3.614
|
|
chemicalCompound:acdLogD |
3.603
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
275.298
|
|
chemicalCompound:acdMostBpk... |
0.799
|
|
chemicalCompound:chemblId |
CHEMBL382981
|
|
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:1667939,
activity:1667940,
activity:1667941,
activity:1667942,
activity:8236721,
activity:8248271,
activity:8301211,
activity:8357748,
activity:8391549,
activity:8464572,
activity:8493227,
activity:8562961,
activity:8578347,
activity:8583224,
activity:8660151,
activity:8714809,
activity:8755034,
activity:8761951,
activity:8821036,
activity:8894535,
activity:8915191,
activity:8958106,
activity:9039211,
activity:9058598,
activity:9084221,
activity:9143809,
activity:9175158,
activity:9278970,
activity:9285446,
activity:9347514,
activity:9421423,
activity:9424044,
activity:9437435,
activity:9496089,
activity:9554959,
activity:9675125,
activity:9703325,
activity:9758730,
activity:9850065,
activity:9879072,
activity:9917147,
activity:9950583,
activity:9998341,
activity:10009733,
activity:10068178,
activity:10117637,
activity:10159279,
activity:10204155,
activity:10241349,
activity:10313557,
activity:10315762,
activity:10359914,
activity:10430042,
activity:10485295,
activity:10582753,
activity:10608843,
activity:10663036,
activity:10689719,
activity:10691465,
activity:10784660
|
