|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C13H13ClN4O3/c1-8(19)17(9(2)20)18-12(15-16-13(18)21)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,16,21)
|
|
chemicalCompound:standardIn... |
IASNPSUGNQNKBN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)N(N1C(=O)NN=C1Cc2ccc(Cl)cc2)C(=O)C
|
|
chemicalCompound:molecularF... |
C13H13ClN4O3
|
|
chemicalCompound:moleculeId |
1292683
|
|
chemicalCompound:mwFreebase |
308.72
|
|
chemicalCompound:alogp |
0.938
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
82.08
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.817
|
|
chemicalCompound:acdLogP |
0.466
|
|
chemicalCompound:acdLogD |
-0.54
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
308.72
|
|
chemicalCompound:chemblId |
CHEMBL1971392
|
|
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:8231133,
activity:8259243,
activity:8308813,
activity:8323766,
activity:8413943,
activity:8486830,
activity:8506873,
activity:8520355,
activity:8581387,
activity:8597082,
activity:8652766,
activity:8666656,
activity:8669290,
activity:8777418,
activity:8784510,
activity:8809725,
activity:8816559,
activity:8870701,
activity:8908515,
activity:8976291,
activity:9026176,
activity:9081294,
activity:9086644,
activity:9106521,
activity:9193388,
activity:9228611,
activity:9230932,
activity:9294968,
activity:9368872,
activity:9371489,
activity:9448425,
activity:9451026,
activity:9546932,
activity:9692090,
activity:9701752,
activity:9725739,
activity:9796552,
activity:9876596,
activity:9905601,
activity:9939501,
activity:9972811,
activity:9989964,
activity:10005465,
activity:10089901,
activity:10175337,
activity:10177256,
activity:10193214,
activity:10291862,
activity:10307425,
activity:10340088,
activity:10382170,
activity:10424141,
activity:10455706,
activity:10507591,
activity:10600231,
activity:10616023,
activity:10622118,
activity:10709650,
activity:10791125,
activity:10806649
|
