trans-1-[5-[(7R,14R)-1-(Difluoromethoxy)-5,6,7,14-tetrahydro-6-methyl-5-oxo-7,14-methanobenzimidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl]-3-hydroxy-3-methylcyclobutane-carbonitrile
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Basic information
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Exact Mass | 542.18779 |
Smiles | O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(N(C2=O)C)C2=NC3C(=CC(C4C=NC([C@]5(C[C@@](O)(C)C5)C#N)=NC=4)=CC=3)N12)C(F)F |
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Canonical Smiles | C[C@@]1(O)C[C@@](C1)(C#N)C1=NC=C(C=N1)C1=CC=C2N=C3[C@H]4C[C@H](C5=C(C=CC=C5C(=O)N4C)OC(F)F)N3C2=C1 |
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Inchi | InChI=1S/C29H24F2N6O3/c1-28(39)12-29(13-28,14-32)26-33-10-16(11-34-26)15-6-7-18-19(8-15)37-20-9-21(24(37)35-18)36(2)25(38)17-4-3-5-22(23(17)20)40-27(30)31/h3-8,10-11,20-21,27,39H,9,12-13H2,1-2H3/t20-,21-,28-,29-/m1/s1 |
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InchiKey | ACYJYBJFKXHOHT-CRFHJIRQSA-N |
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