|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H7Cl3N2O/c1-6-2-4-7(5-3-6)16-10(14)8(12)15-9(13)11(16)17/h2-5H,1H3
|
|
chemicalCompound:standardIn... |
XSWVBZHBJKXQMC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cc1ccc(cc1)N2C(=C(Cl)N=C(Cl)C2=O)Cl
|
|
chemicalCompound:molecularF... |
C11H7Cl3N2O
|
|
chemicalCompound:moleculeId |
881906
|
|
chemicalCompound:mwFreebase |
289.545
|
|
chemicalCompound:alogp |
3.508
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
32.67
|
|
chemicalCompound:rtb |
1
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.206
|
|
chemicalCompound:acdLogD |
4.206
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
289.545
|
|
chemicalCompound:chemblId |
CHEMBL1458022
|
|
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:3634600,
activity:3738169,
activity:3800930,
activity:3835058,
activity:3876223,
activity:3910508,
activity:4012519,
activity:4083909,
activity:4129228,
activity:4205101,
activity:4303181,
activity:4338429,
activity:4360088,
activity:4393618,
activity:4432094,
activity:4514176,
activity:4583965,
activity:4693422,
activity:4702145,
activity:4736248,
activity:4755485,
activity:4777470,
activity:4811621,
activity:4908625,
activity:4990661,
activity:5396596,
activity:5412670,
activity:5432407,
activity:5514349,
activity:5533680,
activity:5543859,
activity:5704037,
activity:5796932,
activity:5801212,
activity:5881514,
activity:6447908,
activity:6463405,
activity:6592906,
activity:6767634,
activity:6769325,
activity:6816015,
activity:6884647,
activity:7018896,
activity:7246139,
activity:7301577,
activity:7355977,
activity:7450172,
activity:7461640,
activity:7523142,
activity:7546404,
activity:7553374,
activity:7554892,
activity:8274196,
activity:10310843,
activity:10466180,
activity:10608189,
activity:10788541
|
