General Information of the Compound
| Compound ID |
CP0528869
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| Compound Name |
3-(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yloxymethyl)-benzonitrile
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| Structure |
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| Formula |
C28H28N2O
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| Molecular Weight |
408.545
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| Canonical SMILES |
N#Cc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C28H28N2O/c29-19-21-8-7-9-22(18-21)20-31-28-25-14-16-30(17-15-25)27(28)26(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-13,18,25-28H,14-17,20H2
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| InChIKey |
UTAKSYGAZXEURO-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