General Information of the Compound
| Compound ID |
CP0949921
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| Compound Name |
1-[3-(3-(3-Methoxyphenoxy)propoxy)propyl]azepane hydrogen oxalate
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| Structure |
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| Formula |
C21H33NO7
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| Molecular Weight |
411.495
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| Canonical SMILES |
COc1cccc(OCCCOCCCN2CCCCCC2)c1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C19H31NO3.C2H2O4/c1-21-18-9-6-10-19(17-18)23-16-8-15-22-14-7-13-20-11-4-2-3-5-12-20;3-1(4)2(5)6/h6,9-10,17H,2-5,7-8,11-16H2,1H3;(H,3,4)(H,5,6)
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| InChIKey |
OAVPLSUKNLATEQ-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