General Information of the Compound
| Compound ID |
CP0400729
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| Compound Name |
[(3R)-1-[3-(1,3-benzoxazol-2-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 |
C31H40N3O3+
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| Molecular Weight |
502.679
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3nc4ccccc4o3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C31H40N3O3/c1-31(25-11-4-2-5-12-25,33-18-8-3-9-19-33)30(35)37-28-23-34(21-16-24(28)17-22-34)20-10-15-29-32-26-13-6-7-14-27(26)36-29/h2,4-7,11-14,24,28H,3,8-10,15-23H2,1H3/q+1/t24?,28-,31-,34?/m0/s1
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| InChIKey |
QUYWVXBALJRRMH-YAFCZHNFSA-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