General Information of the Compound
| Compound ID |
CP0445900
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| Compound Name |
2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-phenyl-8-aza-bicyclo[3.2.1]octane
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| Structure |
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| Formula |
C23H23F6NO
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| Molecular Weight |
443.431
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| Canonical SMILES |
C[C@H](OC1CCC2CCC1(N2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H23F6NO/c1-14(15-11-17(22(24,25)26)13-18(12-15)23(27,28)29)31-20-8-7-19-9-10-21(20,30-19)16-5-3-2-4-6-16/h2-6,11-14,19-20,30H,7-10H2,1H3/t14-,19?,20?,21?/m0/s1
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| InChIKey |
AMMYHLCZPFCXBC-MNUNUEIXSA-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