General Information of the Compound
| Compound ID |
CP0433136
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| Compound Name |
[(3R)-1-(4-phenylbutyl)-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
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| Structure |
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| Formula |
C31H43N2O2+
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| Molecular Weight |
475.697
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C31H43N2O2/c1-31(28-16-7-3-8-17-28,32-20-10-4-11-21-32)30(34)35-29-25-33(23-18-27(29)19-24-33)22-12-9-15-26-13-5-2-6-14-26/h2-3,5-8,13-14,16-17,27,29H,4,9-12,15,18-25H2,1H3/q+1/t27?,29-,31-,33?/m0/s1
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| InChIKey |
JKZTXAFKMWAXLC-QKZQWPARSA-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