General Information of the Compound
| Compound ID |
CP0078672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[4-[[3,6-bis(3-pyrrolidin-1-ylpropanoylamino)acridin-9-yl]amino]phenyl]-N-[2-(diethylamino)ethyl]hexanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H61N9O4
|
||||||||||||||||||
| Molecular Weight |
792.042
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H61N9O4/c1-3-52(4-2)30-23-46-41(55)11-5-6-12-42(56)47-33-13-15-34(16-14-33)50-45-37-19-17-35(48-43(57)21-28-53-24-7-8-25-53)31-39(37)51-40-32-36(18-20-38(40)45)49-44(58)22-29-54-26-9-10-27-54/h13-20,31-32H,3-12,21-30H2,1-2H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,50,51)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHRRVGUOAWHKDN-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