| Properties | Image | Occurences in reactions |
MNX_ID | MNXM45721 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
|
formula | C29H32F2N6O5S |
charge | 0 |
mass | 614.2123 |
reference | keggD:D03412 |
InChIKey | HITUQCDKZKCYIZ-UHFFFAOYSA-N |
InChI | InChI=1S/C25H26F2N6OS.C4H6O4/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25;5-3(6)1-2-4(7)8/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31);1-2H2,(H,5,6)(H,7,8) |
SMILES | O=C(O)CCC(=O)O.OC(CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
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