General Information of the Compound
| Compound ID |
CP0425165
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| Compound Name |
1-[7-(4-chlorophenoxy)heptyl]azepane;oxalic acid
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| Structure |
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| Formula |
C21H32ClNO5
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| Molecular Weight |
413.942
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| Canonical SMILES |
OC(=O)C(O)=O.Clc1ccc(OCCCCCCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C19H30ClNO.C2H2O4/c20-18-10-12-19(13-11-18)22-17-9-5-1-2-6-14-21-15-7-3-4-8-16-21;3-1(4)2(5)6/h10-13H,1-9,14-17H2;(H,3,4)(H,5,6)
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| InChIKey |
SUOLIHGJVSSHEV-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