General Information of the Compound
| Compound ID |
CP0454636
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| Compound Name |
2-Benzhydryl-3-(3-methyl-5-trimethylsilanyl-benzyloxy)-1-aza-bicyclo[2.2.2]octane
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| Structure |
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| Formula |
C31H39NOSi
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| Molecular Weight |
469.745
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| Canonical SMILES |
Cc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(c1)[Si](C)(C)C
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| InChI |
InChI=1S/C31H39NOSi/c1-23-19-24(21-28(20-23)34(2,3)4)22-33-31-27-15-17-32(18-16-27)30(31)29(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-14,19-21,27,29-31H,15-18,22H2,1-4H3
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| InChIKey |
MATVJRKEQYJUEB-UHFFFAOYSA-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