General Information of the Compound
| Compound ID |
CP0853553
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| Compound Name |
(2S,3S)-1-Allyl-2-benzhydryl-3-(2-methoxy-benzylamino)-1-azonia-bicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C31H37BrN2O
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| Molecular Weight |
533.554
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| Canonical SMILES |
C=CC[N+]12CCC(CC1)[C@H](NCc1ccccc1OC)[C@@H]2C(c1ccccc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C31H37N2O.BrH/c1-3-20-33-21-18-26(19-22-33)30(32-23-27-16-10-11-17-28(27)34-2)31(33)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25;/h3-17,26,29-32H,1,18-23H2,2H3;1H/q+1;/p-1/t26?,30-,31-,33?;/m0./s1
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| InChIKey |
SWRLFUZLPWMRNS-ZYJCGITOSA-M
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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