|
rdf:type |
|
|
chemicalCompound:standardIn... |
InChI=1S/C34H28N4/c35-31-19-21-37(33-7-3-1-5-29(31)33)23-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)24-38-22-20-32(36)30-6-2-4-8-34(30)38/h1-22,35-36H,23-24H2/p+2/b10-9-
|
|
chemicalCompound:standardIn... |
VERLYKWASWBHLC-KTKRTIGZSA-P
|
|
chemicalCompound:canonicalS... |
Nc1cc[n+](Cc2ccc(\C=C/c3ccc(C[n+]4ccc(N)c5ccccc45)cc3)cc2)c6ccccc16
|
|
chemicalCompound:molecularF... |
C34 H30 N4
|
|
chemicalCompound:moleculeId |
47
|
|
chemicalCompound:mwFreebase |
494.629
|
|
chemicalCompound:alogp |
7.098
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
59.8
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
1
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
-1.303
|
|
chemicalCompound:acdLogD |
-1.303
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
494.629
|
|
chemicalCompound:chemblId |
CHEMBL6361
|
|
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 |
|
