|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H8Cl2N2O3/c1-4(13)2-3-12-8(15)6(10)5(9)7(14)11-12/h2-3H2,1H3,(H,11,14)
|
|
chemicalCompound:standardIn... |
VQTDRUGUWKNZQA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(=O)CCN1NC(=O)C(=C(Cl)C1=O)Cl
|
|
chemicalCompound:molecularF... |
C8H8Cl2N2O3
|
|
chemicalCompound:moleculeId |
1285637
|
|
chemicalCompound:mwFreebase |
251.067
|
|
chemicalCompound:alogp |
-0.236
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
66.48
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
6.355
|
|
chemicalCompound:acdLogP |
0.287
|
|
chemicalCompound:acdLogD |
-0.75
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
251.067
|
|
chemicalCompound:chemblId |
CHEMBL1964346
|
|
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:8258344,
activity:8307971,
activity:8327476,
activity:8371493,
activity:8408660,
activity:8452974,
activity:8517424,
activity:8533155,
activity:8607595,
activity:8614004,
activity:8695045,
activity:8781214,
activity:8783683,
activity:8813595,
activity:8936918,
activity:8942495,
activity:8979884,
activity:9024490,
activity:9110103,
activity:9116801,
activity:9197073,
activity:9217691,
activity:9230018,
activity:9298603,
activity:9306289,
activity:9318785,
activity:9379526,
activity:9451938,
activity:9463158,
activity:9636614,
activity:9697882,
activity:9718771,
activity:9720474,
activity:9808470,
activity:9871518,
activity:9900515,
activity:9934218,
activity:9972131,
activity:10083646,
activity:10086971,
activity:10185171,
activity:10225904,
activity:10258510,
activity:10265214,
activity:10376951,
activity:10439547,
activity:10450673,
activity:10488392,
activity:10502581,
activity:10550650,
activity:10603570,
activity:10610955,
activity:10634427,
activity:10717474,
activity:10737657,
activity:10816864
|
