General Information of the Compound
| Compound ID |
CP0666468
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| Compound Name |
(R)-1-(2-amino-2-oxoethyl)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C22H33N2O3+
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| Molecular Weight |
373.517
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| Canonical SMILES |
NC(=O)C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2
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| InChI |
InChI=1S/C22H32N2O3/c23-20(25)16-24-13-9-17(10-14-24)19(15-24)27-21(26)22(18-7-3-4-8-18)11-5-1-2-6-12-22/h3-4,7,17,19H,1-2,5-6,8-16H2,(H-,23,25)/p+1/t17?,19-,24?/m0/s1
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| InChIKey |
PQDTWVDWIUQDTF-MZXKRHHESA-O
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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