General Information of the Compound
| Compound ID |
CP0956969
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| Compound Name |
(R)-1-benzyl-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H36NO2+
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| Molecular Weight |
406.59
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
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| InChI |
InChI=1S/C27H36NO2/c29-26(27(24-12-6-7-13-24)16-8-1-2-9-17-27)30-25-21-28(18-14-23(25)15-19-28)20-22-10-4-3-5-11-22/h3-7,10-12,23,25H,1-2,8-9,13-21H2/q+1/t23?,25-,28?/m0/s1
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| InChIKey |
QCUDPWGDINBVDR-RXFKJLCSSA-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