General Information of the Compound
| Compound ID |
CP0715545
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| Compound Name |
Tert-butyl (18-(2-allylphenoxy)-17-hydroxy-3,6,9,12-tetraoxa-15-azaoctadecyl)carbamate
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| Structure |
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| Formula |
C27H46N2O8
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| Molecular Weight |
526.671
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| Canonical SMILES |
C=CCc1ccccc1OCC(O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H46N2O8/c1-5-8-23-9-6-7-10-25(23)36-22-24(30)21-28-11-13-32-15-17-34-19-20-35-18-16-33-14-12-29-26(31)37-27(2,3)4/h5-7,9-10,24,28,30H,1,8,11-22H2,2-4H3,(H,29,31)
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| InChIKey |
IKFYNQUUAZGHNL-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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