| PDB CCD ID: | RNR |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C27 H31 F2 N5 O2 |
| InChI: | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1 |
| InChIKey: | LWWRDCOEZPEHNJ-NHCUHLMSSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | F[CH]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[CH](F)C5)cc4nc3c2)C1 | | OpenEye OEToolkits 1.7.0 | c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CC[N@@]4CC[C@H](C4)F)NC(=O)CC[N@@]5CC[C@H](C5)F | | OpenEye OEToolkits 1.7.0 | c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCC(C4)F)NC(=O)CCN5CCC(C5)F | | CACTVS 3.370 | F[C@@H]1CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC[C@@H](F)C5)cc4nc3c2)C1 | | ACDLabs 12.01 | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 |
|
| Name: | 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine;
N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} |
| ZINC: | ZINC000058638472 |
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