| PDB CCD ID: | DA5 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C18 H21 Br N4 O |
| InChI: | InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2 |
| InChIKey: | NROQPXQSDDINMC-UHFFFAOYSA-P |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CN(C)CCNC(=O)c1cccc2c1[nH+]c3c(c2[NH3+])cccc3Br | | CACTVS 3.341 | CN(C)CCNC(=O)c1cccc2c([NH3+])c3cccc(Br)c3[nH+]c12 | | ACDLabs 10.04 | O=C(NCCN(C)C)c1c3c(ccc1)c(c2cccc(Br)c2[nH+]3)[NH3+] |
|
| Name: | 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE;
5BR20686 |
| DrugBank: | DB02390 |
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