General Information of the Compound
| Compound ID |
CP0488348
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| Compound Name |
[(3R)-1-(3-pyrimidin-5-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 |
C28H39N4O2+
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| Molecular Weight |
463.646
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| Canonical SMILES |
C[C@@](N1CCCCC1)(C(=O)O[C@H]1C[N+]2(CCCc3cncnc3)CCC1CC2)c1ccccc1
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| InChI |
InChI=1S/C28H39N4O2/c1-28(25-10-4-2-5-11-25,31-14-6-3-7-15-31)27(33)34-26-21-32(17-12-24(26)13-18-32)16-8-9-23-19-29-22-30-20-23/h2,4-5,10-11,19-20,22,24,26H,3,6-9,12-18,21H2,1H3/q+1/t24?,26-,28-,32?/m0/s1
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| InChIKey |
JHOZGFQMXDYMCZ-TZVITEJDSA-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