General Information of the Compound
| Compound ID |
CP0430279
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| Compound Name |
N-benzyl-2-[4-(4-fluorophenyl)-2,2-dimethyloxan-4-yl]ethanamine
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| Structure |
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| Formula |
C22H28FNO
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| Molecular Weight |
341.47
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| Canonical SMILES |
CC1(C)CC(CCNCc2ccccc2)(CCO1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H28FNO/c1-21(2)17-22(13-15-25-21,19-8-10-20(23)11-9-19)12-14-24-16-18-6-4-3-5-7-18/h3-11,24H,12-17H2,1-2H3
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| InChIKey |
CUCKSFZHRXPXND-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