General Information of the Compound
| Compound ID |
CP0873800
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| Compound Name |
3-(2-cyano-2,2-diphenylethyl)-8-dodecyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
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| Formula |
C35H51BrN2
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| Molecular Weight |
579.711
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| Canonical SMILES |
CCCCCCCCCCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2.[Br-]
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| InChI |
InChI=1S/C35H51N2.BrH/c1-3-4-5-6-7-8-9-10-11-18-25-37(2)33-23-24-34(37)27-30(26-33)28-35(29-36,31-19-14-12-15-20-31)32-21-16-13-17-22-32;/h12-17,19-22,30,33-34H,3-11,18,23-28H2,1-2H3;1H/q+1;/p-1/t30-,33-,34+,37?;
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| InChIKey |
FEBODYDOLOXAGQ-GIVLHMTPSA-M
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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