|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C9H5Cl2N3O2/c10-4-1-3-6(2-5(4)11)13-14-8(7(3)12)9(15)16/h1-2H,(H2,12,13)(H,15,16)
|
|
chemicalCompound:standardIn... |
IMBXVSYZRSVZCD-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Nc1c(nnc2cc(Cl)c(Cl)cc12)C(=O)O
|
|
chemicalCompound:molecularF... |
C9H5Cl2N3O2
|
|
chemicalCompound:moleculeId |
1291268
|
|
chemicalCompound:mwFreebase |
258.061
|
|
chemicalCompound:alogp |
2.189
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
89.1
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
2.059
|
|
chemicalCompound:acdLogP |
3.662
|
|
chemicalCompound:acdLogD |
0.623
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
258.061
|
|
chemicalCompound:acdMostBpk... |
5.899
|
|
chemicalCompound:chemblId |
CHEMBL1969977
|
|
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:8239805,
activity:8289907,
activity:8339848,
activity:8350686,
activity:8369745,
activity:8466965,
activity:8527123,
activity:8551691,
activity:8554155,
activity:8628235,
activity:8693000,
activity:8704285,
activity:8732933,
activity:8739949,
activity:8836947,
activity:8857241,
activity:8867960,
activity:8897382,
activity:9006893,
activity:9036273,
activity:9070919,
activity:9117320,
activity:9132987,
activity:9224735,
activity:9257231,
activity:9263442,
activity:9325874,
activity:9395348,
activity:9402107,
activity:9474519,
activity:9481320,
activity:9522007,
activity:9654190,
activity:9732459,
activity:9756256,
activity:9826200,
activity:9861489,
activity:9902897,
activity:9928757,
activity:9969971,
activity:10033526,
activity:10044861,
activity:10115920,
activity:10137372,
activity:10148731,
activity:10219555,
activity:10248546,
activity:10276989,
activity:10338397,
activity:10366160,
activity:10398221,
activity:10413056,
activity:10533832,
activity:10561577,
activity:10641847,
activity:10652219,
activity:10763103
|
