rdf:type |
|
chemicalCompound:standardIn... |
InChI=1S/C24H14ClF3N4O/c25-17-8-1-2-9-19(17)32-21(33)12-11-18(30-32)23-22(29-20-10-3-4-13-31(20)23)15-6-5-7-16(14-15)24(26,27)28/h1-14H
|
chemicalCompound:standardIn... |
YCRCLCNSLNULHH-UHFFFAOYSA-N
|
chemicalCompound:canonicalS... |
FC(F)(F)c1cccc(c1)c2nc3ccccn3c2C4=NN(C(=O)C=C4)c5ccccc5Cl
|
chemicalCompound:molecularF... |
C24 H14 Cl F3 N4 O
|
chemicalCompound:moleculeId |
194173
|
chemicalCompound:mwFreebase |
466.842
|
chemicalCompound:alogp |
5.952
|
chemicalCompound:hba |
3
|
chemicalCompound:hbd |
0
|
chemicalCompound:psa |
49.97
|
chemicalCompound:rtb |
4
|
chemicalCompound:ro3Pass |
N
|
chemicalCompound:numRo5viol... |
1
|
chemicalCompound:medChemFri... |
Y
|
chemicalCompound:acdLogP |
5.098
|
chemicalCompound:acdLogD |
5.098
|
chemicalCompound:molecularS... |
|
chemicalCompound:fullMwt |
466.842
|
chemicalCompound:acdMostBpk... |
3.031
|
chemicalCompound:chemblId |
CHEMBL119406
|
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 |
|