General Information of the Compound
| Compound ID |
CP0947381
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-phenoxyethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C28H38NO3+
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| Molecular Weight |
436.616
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
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| InChI |
InChI=1S/C28H38NO3/c30-27(28(24-10-6-7-11-24)16-8-1-2-9-17-28)32-26-22-29(18-14-23(26)15-19-29)20-21-31-25-12-4-3-5-13-25/h3-7,10,12-13,23,26H,1-2,8-9,11,14-22H2/q+1/t23?,26-,29?/m0/s1
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| InChIKey |
ZQILZUIFOHLKHJ-JOMKWTIYSA-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