General Information of the Compound
| Compound ID |
CP0492604
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| Compound Name |
[(3R)-1-[3-(6-methylpyridin-3-yl)propyl]-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 |
C30H42N3O2+
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| Molecular Weight |
476.685
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| Canonical SMILES |
Cc1ccc(CCC[N+]23CCC(CC2)[C@H](C3)OC(=O)[C@@](C)(N2CCCCC2)c2ccccc2)cn1
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| InChI |
InChI=1S/C30H42N3O2/c1-24-13-14-25(22-31-24)10-9-19-33-20-15-26(16-21-33)28(23-33)35-29(34)30(2,27-11-5-3-6-12-27)32-17-7-4-8-18-32/h3,5-6,11-14,22,26,28H,4,7-10,15-21,23H2,1-2H3/q+1/t26?,28-,30-,33?/m0/s1
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| InChIKey |
DCTDMLRUYBFRCL-KIKKPEDASA-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