General Information of the Compound
| Compound ID |
CP0502440
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| Compound Name |
(6S,7S)-7-[bis(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[3.2.2]nonan-6-amine
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| Structure |
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| Formula |
C29H32F2N2O
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| Molecular Weight |
462.584
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| Canonical SMILES |
COc1ccccc1CN[C@H]1C2CCN(CCC2)[C@H]1C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H32F2N2O/c1-34-26-7-3-2-5-23(26)19-32-28-22-6-4-17-33(18-16-22)29(28)27(20-8-12-24(30)13-9-20)21-10-14-25(31)15-11-21/h2-3,5,7-15,22,27-29,32H,4,6,16-19H2,1H3/t22?,28-,29-/m0/s1
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| InChIKey |
DAKPGLXAKATDOU-OEJBOCFZSA-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