| PDB CCD ID: | E10 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C28 H42 N4 O2 |
| InChI: | InChI=1S/C28H42N4O2/c33-27-17-15-21-23(11-9-13-25(21)31-27)29-19-7-5-3-1-2-4-6-8-20-30-24-12-10-14-26-22(24)16-18-28(34)32-26/h15-18,23-24,29-30H,1-14,19-20H2,(H,31,33)(H,32,34)/t23-,24-/m0/s1 |
| InChIKey: | CKFAWHBPSZAYLS-ZEQRLZLVSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNC4C3=C(NC(=O)C=C3)CCC4 | | OpenEye OEToolkits 1.5.0 | C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4 | | CACTVS 3.341 | O=C1NC2=C(C=C1)[CH](CCC2)NCCCCCCCCCCN[CH]3CCCC4=C3C=CC(=O)N4 | | CACTVS 3.341 | O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 | | OpenEye OEToolkits 1.5.0 | C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4 |
|
| Name: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE |
| ChEMBL: | CHEMBL483090 |
| ZINC: | ZINC000003870441 |
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