General Information of the Compound
| Compound ID |
CP0904562
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-morpholino-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C26H39N2O4+
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| Molecular Weight |
443.608
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| Canonical SMILES |
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)N1CCOCC1
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| InChI |
InChI=1S/C26H39N2O4/c29-24(27-13-17-31-18-14-27)20-28-15-9-21(10-16-28)23(19-28)32-25(30)26(22-7-3-4-8-22)11-5-1-2-6-12-26/h3-4,7,21,23H,1-2,5-6,8-20H2/q+1/t21?,23-,28?/m0/s1
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| InChIKey |
JICFUBJEFYMWBQ-YMVPHMABSA-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