General Information of the Compound
| Compound ID |
CP0310269
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| Compound Name |
1-[3-[4-(2-methylbutan-2-yl)phenoxy]propyl]azepane
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| Structure |
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| Formula |
C20H33NO
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| Molecular Weight |
303.49
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| Canonical SMILES |
CCC(C)(C)c1ccc(OCCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C20H33NO/c1-4-20(2,3)18-10-12-19(13-11-18)22-17-9-16-21-14-7-5-6-8-15-21/h10-13H,4-9,14-17H2,1-3H3
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| InChIKey |
ZTOUOCYMUXLHOP-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