General Information of the Compound
| Compound ID |
CP0525090
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| Compound Name |
[(3R)-1-(3-pyridin-3-ylpropyl)-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 |
C29H40N3O2+
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| Molecular Weight |
462.658
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3cccnc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C29H40N3O2/c1-29(26-12-4-2-5-13-26,31-17-6-3-7-18-31)28(33)34-27-23-32(20-14-25(27)15-21-32)19-9-11-24-10-8-16-30-22-24/h2,4-5,8,10,12-13,16,22,25,27H,3,6-7,9,11,14-15,17-21,23H2,1H3/q+1/t25?,27-,29-,32?/m0/s1
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| InChIKey |
FKZXUTFIOSGCHU-NGWQEONKSA-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