General Information of the Compound
| Compound ID |
CP0821128
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| Compound Name |
(R)-1-(3-(pyridin-4-yl)propyl)-3-(1-(thiophen-2-yl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C27H37N2O2S+
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| Molecular Weight |
453.672
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3ccncc3)CCC1CC2)C1(c2cccs2)CCCCCC1
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| InChI |
InChI=1S/C27H37N2O2S/c30-26(27(25-8-6-20-32-25)13-3-1-2-4-14-27)31-24-21-29(18-11-23(24)12-19-29)17-5-7-22-9-15-28-16-10-22/h6,8-10,15-16,20,23-24H,1-5,7,11-14,17-19,21H2/q+1/t23?,24-,29?/m0/s1
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| InChIKey |
HNKRLZPRTHVMQJ-IDPZRHLESA-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