General Information of the Compound
| Compound ID |
CP0547854
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| Compound Name |
ethyl (2R,3S)-8-[(2R)-2-amino-3-methylbutyl]-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C28H36F2N2O3
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| Molecular Weight |
486.603
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| Canonical SMILES |
CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](N)C(C)C
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| InChI |
InChI=1S/C28H36F2N2O3/c1-4-34-28(33)26-24-14-13-22(32(24)16-23(31)17(2)3)15-25(26)35-27(18-5-9-20(29)10-6-18)19-7-11-21(30)12-8-19/h5-12,17,22-27H,4,13-16,31H2,1-3H3/t22?,23-,24?,25-,26+/m0/s1
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| InChIKey |
IZGVMSAOTUPPMM-OCOCNQEESA-N
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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