|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C23H14Cl4N4O/c24-14-6-3-5-13(20(14)27)21-23(30-12-2-1-9-18(30)28-21)17-10-11-19(32)31(29-17)22-15(25)7-4-8-16(22)26/h1-9,12H,10-11H2
|
|
chemicalCompound:standardIn... |
SZRRZYSHMZWNLJ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Clc1cccc(c1Cl)c2nc3ccccn3c2C4=NN(C(=O)CC4)c5c(Cl)cccc5Cl
|
|
chemicalCompound:molecularF... |
C23 H14 Cl4 N4 O
|
|
chemicalCompound:moleculeId |
194001
|
|
chemicalCompound:mwFreebase |
504.195
|
|
chemicalCompound:alogp |
6.605
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
49.97
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
2
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
5.748
|
|
chemicalCompound:acdLogD |
5.748
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
504.195
|
|
chemicalCompound:acdMostBpk... |
2.04
|
|
chemicalCompound:chemblId |
CHEMBL117228
|
|
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 |
|
