General Information of the Compound
| Compound ID |
CP0823684
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(3-(pyridin-4-yl)propyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C28H39N2O2+
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| Molecular Weight |
435.632
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
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| InChI |
InChI=1S/C28H39N2O2/c31-27(28(25-9-3-4-10-25)15-5-1-2-6-16-28)32-26-22-30(20-13-24(26)14-21-30)19-7-8-23-11-17-29-18-12-23/h3-4,9,11-12,17-18,24,26H,1-2,5-8,10,13-16,19-22H2/q+1/t24?,26-,30?/m0/s1
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| InChIKey |
ARCIZOABLFAJAS-OUZZWEIQSA-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