General Information of the Compound
| Compound ID |
CP0551853
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| Compound Name |
1-(6-naphthalen-1-yloxyhexyl)azepane
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| Structure |
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| Formula |
C22H31NO
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| Molecular Weight |
325.496
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| Canonical SMILES |
C(CCCN1CCCCCC1)CCOc1cccc2ccccc12
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| InChI |
InChI=1S/C22H31NO/c1-2-8-17-23(16-7-1)18-9-3-4-10-19-24-22-15-11-13-20-12-5-6-14-21(20)22/h5-6,11-15H,1-4,7-10,16-19H2
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| InChIKey |
OHMYYCVFTVDPTM-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