PDB CCD ID: | O73 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C21 H24 N4 O5 |
InChI: | InChI=1S/C21H24N4O5/c1-13-16(12-30-15-7-5-14(6-8-15)25(28)29)19-20(24(13)2)18(26)11-17(21(19)27)23-10-4-3-9-22/h5-8,11,23H,3-4,9-10,12,22H2,1-2H3 |
InChIKey: | VZTIVOFFCAESGN-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.370 | Cn1c(C)c(COc2ccc(cc2)[N+]([O-])=O)c3C(=O)C(=CC(=O)c13)NCCCCN | OpenEye OEToolkits 1.7.0 | Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-] | ACDLabs 12.01 | [O-][N+](=O)c3ccc(OCc1c(n(c2c1C(=O)C(=CC2=O)NCCCCN)C)C)cc3 |
|
Name: | 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione |
ZINC: | ZINC000100601349 |