|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
|
|
chemicalCompound:standardIn... |
VEPKQEUBKLEPRA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1
|
|
chemicalCompound:molecularF... |
C19H9Cl2F2N3OS
|
|
chemicalCompound:moleculeId |
193962
|
|
chemicalCompound:mwFreebase |
436.262
|
|
chemicalCompound:alogp |
5.342
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
70.33
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
3.907
|
|
chemicalCompound:acdLogD |
3.907
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
436.262
|
|
chemicalCompound:chemblId |
CHEMBL119385
|
|
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:66410,
activity:66411,
activity:66412,
activity:66413,
activity:66414,
activity:536521,
activity:1651074,
activity:1651085,
activity:1651096,
activity:1651107,
activity:1651118,
activity:1651129,
activity:1651140,
activity:1651151,
activity:1651162,
activity:1651173,
activity:1651184,
activity:1651195,
activity:1651206,
activity:1651217,
activity:1651228,
activity:1651239,
activity:1651250,
activity:1651261,
activity:1651272,
activity:1651283,
activity:1651294,
activity:1651305,
activity:1651316,
activity:1651327,
activity:1651338,
activity:1651349,
activity:1651360,
activity:1651371,
activity:1651382,
activity:1651393,
activity:1651404,
activity:1651415,
activity:1651426,
activity:1651437,
activity:1651448,
activity:1651459,
activity:1651470,
activity:1651481,
activity:1651492,
activity:1651503,
activity:1651514,
activity:1651525,
activity:1651536,
activity:1651547,
activity:1651558,
activity:1651569,
activity:1651580,
activity:1651591,
activity:1651602,
activity:1651613,
activity:1651624,
activity:1651635,
activity:1651646,
activity:1651657,
activity:1651668,
activity:1651679,
activity:1651690,
activity:1651701,
activity:1651712,
activity:1651723,
activity:1651734
|
