General Information of the Compound
| Compound ID |
CP0936032
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-(3-fluoropyridin-2-ylamino)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H35FN3O3+
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| Molecular Weight |
468.593
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| Canonical SMILES |
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)Nc1ncccc1F
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| InChI |
InChI=1S/C27H34FN3O3/c28-22-10-7-15-29-25(22)30-24(32)19-31-16-11-20(12-17-31)23(18-31)34-26(33)27(21-8-3-4-9-21)13-5-1-2-6-14-27/h3-4,7-8,10,15,20,23H,1-2,5-6,9,11-14,16-19H2/p+1/t20?,23-,31?/m0/s1
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| InChIKey |
NQGRLZYESHTPIU-ZITBFLLYSA-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