General Information of the Compound
| Compound ID |
CP0922761
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| Compound Name |
(1S,2S,3S,5R)-methyl 3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C23H25F2NO3
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| Molecular Weight |
401.453
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| Canonical SMILES |
COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C
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| InChI |
InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18-,19+,20+,21+/m1/s1
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| InChIKey |
XSYGBVSQKPLETJ-ANULTFPQSA-N
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| CAS |
156774-35-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound