General Information of the Compound
| Compound ID |
CP0490823
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| Compound Name |
2-Amino-6-(5-oxo-5-(undecyloxy)pentanamido)heptanedioic Acid
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| Structure |
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| Formula |
C23H42N2O7
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| Molecular Weight |
458.596
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| Canonical SMILES |
CCCCCCCCCCCOC(=O)CCCC(=O)NC(CCCC(N)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C23H42N2O7/c1-2-3-4-5-6-7-8-9-10-17-32-21(27)16-12-15-20(26)25-19(23(30)31)14-11-13-18(24)22(28)29/h18-19H,2-17,24H2,1H3,(H,25,26)(H,28,29)(H,30,31)
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| InChIKey |
CVOQTHOVGZJWLS-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