General Information of the Compound
| Compound ID |
CP0860997
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-methyl-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C21H32NO2+
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| Molecular Weight |
330.492
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| Canonical SMILES |
C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2
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| InChI |
InChI=1S/C21H32NO2/c1-22-14-10-17(11-15-22)19(16-22)24-20(23)21(18-8-4-5-9-18)12-6-2-3-7-13-21/h4-5,8,17,19H,2-3,6-7,9-16H2,1H3/q+1/t17?,19-,22?/m0/s1
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| InChIKey |
LHTBYFHEOLPZFV-OZWAEMERSA-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