cis-3-[5-[(7R,14R)-1-(Difluoromethoxy)-5,6,7,14-tetrahydro-5-oxo-7,14-methanobenzimidazo[1,2-b][2,5]benzodiazocin-11-yl]pyrimidin-2-yl]-3-hydroxy-1-methylcyclobutane-carbonitrile
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Basic information
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Exact Mass | 528.17214 |
Smiles | O(C1C=CC=C2C=1[C@@]1([H])C[C@@]([H])(NC2=O)C2=NC3C(=CC(C4C=NC([C@]5(C[C@](C)(C#N)C5)O)=NC=4)=CC=3)N12)C(F)F |
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Canonical Smiles | C[C@]1(C[C@](O)(C1)C1N=CC(=CN=1)C1=CC=C2N=C3[C@H]4C[C@H](C5C(=CC=CC=5OC(F)F)C(=O)N4)N3C2=C1)C#N |
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Inchi | InChI=1S/C28H22F2N6O3/c1-27(13-31)11-28(38,12-27)25-32-9-15(10-33-25)14-5-6-17-19(7-14)36-20-8-18(23(36)34-17)35-24(37)16-3-2-4-21(22(16)20)39-26(29)30/h2-7,9-10,18,20,26,38H,8,11-12H2,1H3,(H,35,37)/t18-,20-,27-,28+/m1/s1 |
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InchiKey | DWPOWNHQUMSZBJ-QAPMGOGYSA-N |
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