| PDB CCD ID: | BRA |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C35 H43 N7 O2 |
| InChI: | InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39) |
| InChIKey: | RKPYSYRMIXRZJT-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(Nc5cc4nc2cc(NC(=O)CCN1CCCC1)ccc2c(Nc3ccc(N(C)C)cc3)c4cc5)CCN6CCCC6 | | OpenEye OEToolkits 1.5.0 | CN(C)c1ccc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6 | | CACTVS 3.341 | CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc5cc(NC(=O)CCN6CCCC6)ccc25)cc1 |
|
| Name: | 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine;
N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) |
| ChEMBL: | CHEMBL336434 |
| ZINC: | ZINC000027519870 |
zhanggroup.org