General Information of the Compound
| Compound ID |
CP0514213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,6-bis[3-(pyrrolidin-1-yl)propionamido]-9-{4'-[3''-(pyrrolidin-1-yl)butanamido]anilino}acridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H52N8O3
|
||||||||||||||||||
| Molecular Weight |
704.92
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCN1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H52N8O3/c50-38(8-7-25-47-19-1-2-20-47)42-30-9-11-31(12-10-30)45-41-34-15-13-32(43-39(51)17-26-48-21-3-4-22-48)28-36(34)46-37-29-33(14-16-35(37)41)44-40(52)18-27-49-23-5-6-24-49/h9-16,28-29H,1-8,17-27H2,(H,42,50)(H,43,51)(H,44,52)(H,45,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCLRHYGEABKRFA-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