General Information of the Compound
| Compound ID |
CP0890833
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| Compound Name |
(2S,3S)-2-Benzhydryl-1-ethoxycarbonylmethyl-3-(2-methoxy-benzylamino)-1-azonia-bicyclo[2.2.2]octane bromide
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| Structure |
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| Formula |
C32H39BrN2O3
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| Molecular Weight |
579.579
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| Canonical SMILES |
CCOC(=O)C[N+]12CCC(CC1)[C@H](NCc1ccccc1OC)[C@@H]2C(c1ccccc1)c1ccccc1.[Br-]
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| InChI |
InChI=1S/C32H39N2O3.BrH/c1-3-37-29(35)23-34-20-18-26(19-21-34)31(33-22-27-16-10-11-17-28(27)36-2)32(34)30(24-12-6-4-7-13-24)25-14-8-5-9-15-25;/h4-17,26,30-33H,3,18-23H2,1-2H3;1H/q+1;/p-1/t26?,31-,32-,34?;/m0./s1
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| InChIKey |
IRDSKJDIEFZXMS-XWMKHWAXSA-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