General Information of the Compound
| Compound ID |
CP0380066
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| Compound Name |
1-[3-(2-benzylphenoxy)propyl]azepane
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| Structure |
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| Formula |
C22H29NO
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| Molecular Weight |
323.48
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| Canonical SMILES |
C(COc1ccccc1Cc1ccccc1)CN1CCCCCC1
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| InChI |
InChI=1S/C22H29NO/c1-2-9-16-23(15-8-1)17-10-18-24-22-14-7-6-13-21(22)19-20-11-4-3-5-12-20/h3-7,11-14H,1-2,8-10,15-19H2
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| InChIKey |
GDKCCKHNHLRNOR-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