General Information of the Compound
| Compound ID |
CP0055127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[9-(3-aminoanilino)-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H39N7O2
|
||||||||||||||||||
| Molecular Weight |
565.722
|
||||||||||||||||||
| Canonical SMILES |
Nc1cccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H39N7O2/c34-23-6-5-7-24(20-23)37-33-27-10-8-25(35-31(41)12-18-39-14-1-2-15-39)21-29(27)38-30-22-26(9-11-28(30)33)36-32(42)13-19-40-16-3-4-17-40/h5-11,20-22H,1-4,12-19,34H2,(H,35,41)(H,36,42)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGQRWLQSCUSJDT-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