General Information of the Compound
| Compound ID |
CP0700254
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| Compound Name |
18-(2-allylphenoxy)-1-amino-3,6,9,12-tetraoxa-15-azaoctadecan-17-ol
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| Structure |
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| Formula |
C22H38N2O6
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| Molecular Weight |
426.554
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| Canonical SMILES |
C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCN
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| InChI |
InChI=1S/C22H38N2O6/c1-2-5-20-6-3-4-7-22(20)30-19-21(25)18-24-9-11-27-13-15-29-17-16-28-14-12-26-10-8-23/h2-4,6-7,21,24-25H,1,5,8-19,23H2
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| InChIKey |
JTICSMPQQVDYOJ-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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