General Information of the Compound
| Compound ID |
CP0534221
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| Compound Name |
[3-methoxy-2-(octylcarbamoyloxy)propyl] N-octylcarbamate
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| Structure |
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| Formula |
C22H44N2O5
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| Molecular Weight |
416.603
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| Canonical SMILES |
CCCCCCCCNC(=O)OCC(COC)OC(=O)NCCCCCCCC
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| InChI |
InChI=1S/C22H44N2O5/c1-4-6-8-10-12-14-16-23-21(25)28-19-20(18-27-3)29-22(26)24-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3,(H,23,25)(H,24,26)
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| InChIKey |
VMVPSAHSESRTIT-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