trans-3-[5-[(7R,14R)-6-(3,3-difluoro-cyclobutyl)-1-(difluoromethoxy)-5,6,7,14-tetrahydro-5-oxo-7,14-methanobenzimidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl]-1-(fluoromethyl)-3-hydroxy-Cyclobutane-carbonitrile
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Basic information
| GHS | |
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| Exact Mass | 636.19083 |
| Smiles | O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(N(C3CC(F)(F)C3)C2=O)C2=NC3C(=CC(C4C=NC([C@]5(C[C@@](C#N)(CF)C5)O)=NC=4)=CC=3)N12)C(F)F |
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| Canonical Smiles | N#C[C@@]1(C[C@](O)(C1)C1=NC=C(C=N1)C1C=C2C(=CC=1)N=C1[C@H]3C[C@H](C4=C(C=CC=C4C(=O)N3C3CC(F)(F)C3)OC(F)F)N21)CF |
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| Inchi | InChI=1S/C32H25F5N6O3/c33-14-30(15-38)12-31(45,13-30)28-39-10-17(11-40-28)16-4-5-20-21(6-16)43-22-7-23(26(43)41-20)42(18-8-32(36,37)9-18)27(44)19-2-1-3-24(25(19)22)46-29(34)35/h1-6,10-11,18,22-23,29,45H,7-9,12-14H2/t22-,23-,30-,31+/m1/s1 |
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| InchiKey | YSBABTLFBVKZCG-JHJVZOCESA-N |
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