General Information of the Compound
| Compound ID |
CP0848244
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-(6-methylpyridin-3-ylamino)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C28H38N3O3+
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| Molecular Weight |
464.63
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| Canonical SMILES |
Cc1ccc(NC(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)C2(C4=CC=CC4)CCCCCC2)C3)cn1
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| InChI |
InChI=1S/C28H37N3O3/c1-21-10-11-24(18-29-21)30-26(32)20-31-16-12-22(13-17-31)25(19-31)34-27(33)28(23-8-4-5-9-23)14-6-2-3-7-15-28/h4-5,8,10-11,18,22,25H,2-3,6-7,9,12-17,19-20H2,1H3/p+1/t22?,25-,31?/m0/s1
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| InChIKey |
CVEFEYIRGSTOIU-LMEDFRRQSA-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