|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C20H16N6O2/c1-27-15-7-3-13(4-8-15)18-22-24-20-25(18)12-11-17-21-23-19(26(17)20)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3
|
|
chemicalCompound:standardIn... |
KNCJAQVTAJAOBN-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)c2nnc3n2ccc4nnc(c5ccc(OC)cc5)n34
|
|
chemicalCompound:molecularF... |
C20 H16 N6 O2
|
|
chemicalCompound:moleculeId |
390292
|
|
chemicalCompound:mwFreebase |
372.38
|
|
chemicalCompound:alogp |
3.394
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
78.84
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.205
|
|
chemicalCompound:acdLogD |
4.205
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
372.38
|
|
chemicalCompound:acdMostBpk... |
0.484
|
|
chemicalCompound:chemblId |
CHEMBL388667
|
|
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 |
|
