|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C33H28N4/c34-30-17-19-36(32-7-3-1-5-28(30)32)22-26-13-9-24(10-14-26)21-25-11-15-27(16-12-25)23-37-20-18-31(35)29-6-2-4-8-33(29)37/h1-20,34-35H,21-23H2/p+2
|
|
chemicalCompound:standardIn... |
YEQQDIAUPMSMFF-UHFFFAOYSA-P
|
|
chemicalCompound:canonicalS... |
Nc1cc[n+](Cc2ccc(Cc3ccc(C[n+]4ccc(N)c5ccccc45)cc3)cc2)c6ccccc16
|
|
chemicalCompound:molecularF... |
C33 H30 N4
|
|
chemicalCompound:moleculeId |
56
|
|
chemicalCompound:mwFreebase |
482.618
|
|
chemicalCompound:alogp |
7.087
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
59.8
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-1.148
|
|
chemicalCompound:acdLogD |
-1.148
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
482.618
|
|
chemicalCompound:chemblId |
CHEMBL6315
|
|
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 |
|
