General Information of the Compound
| Compound ID |
CP0319916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,6-bis[6-(pyrrolidin-1-yl)hexanamido]-9-[4'-(N,N-dimethylamino)anilino]acridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H55N7O2
|
||||||||||||||||||
| Molecular Weight |
677.938
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(Nc2c3ccc(NC(=O)CCCCCN4CCCC4)cc3nc3cc(NC(=O)CCCCCN4CCCC4)ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H55N7O2/c1-46(2)34-19-15-31(16-20-34)44-41-35-21-17-32(42-39(49)13-5-3-7-23-47-25-9-10-26-47)29-37(35)45-38-30-33(18-22-36(38)41)43-40(50)14-6-4-8-24-48-27-11-12-28-48/h15-22,29-30H,3-14,23-28H2,1-2H3,(H,42,49)(H,43,50)(H,44,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVWHCKREVBVRRG-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound