|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C32H26N4/c33-29-15-17-35(31-13-3-1-11-27(29)31)21-23-7-5-9-25(19-23)26-10-6-8-24(20-26)22-36-18-16-30(34)28-12-2-4-14-32(28)36/h1-20,33-34H,21-22H2/p+2
|
|
chemicalCompound:standardIn... |
CKEYKKQODPYQPS-UHFFFAOYSA-P
|
|
chemicalCompound:canonicalS... |
Nc1cc[n+](Cc2cccc(c2)c3cccc(C[n+]4ccc(N)c5ccccc45)c3)c6ccccc16
|
|
chemicalCompound:molecularF... |
C32 H28 N4
|
|
chemicalCompound:moleculeId |
39
|
|
chemicalCompound:mwFreebase |
468.592
|
|
chemicalCompound:alogp |
6.631
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
59.8
|
|
chemicalCompound:rtb |
5
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-1.098
|
|
chemicalCompound:acdLogD |
-1.098
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
468.592
|
|
chemicalCompound:chemblId |
CHEMBL6354
|
|
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 |
|
