General Information of the Compound
| Compound ID |
CP0665628
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| Compound Name |
4-((18-(2-allylphenoxy)-17-hydroxy-3,6,9,12-tetraoxa-15-azaoctadecyl)carbamoyl)cyclobutane-1,2,3-tricarboxylic acid
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| Structure |
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| Formula |
C30H44N2O13
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| Molecular Weight |
640.683
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| Canonical SMILES |
C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O
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| InChI |
InChI=1S/C30H44N2O13/c1-2-5-20-6-3-4-7-22(20)45-19-21(33)18-31-8-10-41-12-14-43-16-17-44-15-13-42-11-9-32-27(34)23-24(28(35)36)26(30(39)40)25(23)29(37)38/h2-4,6-7,21,23-26,31,33H,1,5,8-19H2,(H,32,34)(H,35,36)(H,37,38)(H,39,40)
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| InChIKey |
NKYOMLAKLYQOAV-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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