General Information of the Compound
| Compound ID |
CP0692947
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| Compound Name |
21-(2-allylphenoxy)-20-hydroxy-2-oxo-6,9,12,15-tetraoxa-3,18-diazahenicosane-1-sulfonic acid
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| Structure |
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| Formula |
C24H40N2O10S
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| Molecular Weight |
548.655
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| Canonical SMILES |
C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)CS(=O)(=O)O
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| InChI |
InChI=1S/C24H40N2O10S/c1-2-5-21-6-3-4-7-23(21)36-19-22(27)18-25-8-10-32-12-14-34-16-17-35-15-13-33-11-9-26-24(28)20-37(29,30)31/h2-4,6-7,22,25,27H,1,5,8-20H2,(H,26,28)(H,29,30,31)
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| InChIKey |
QKBNVHOVHIVAOY-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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