General Information of the Compound
| Compound ID |
CP0854600
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| Compound Name |
rac-2-((S)-2-acetamido-3-carboxypropanamido)nonanoic acid
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| Structure |
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| Formula |
C15H26N2O6
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| Molecular Weight |
330.381
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| Canonical SMILES |
CCCCCCCC(NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)O
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| InChI |
InChI=1S/C15H26N2O6/c1-3-4-5-6-7-8-11(15(22)23)17-14(21)12(9-13(19)20)16-10(2)18/h11-12H,3-9H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)(H,22,23)/t11?,12-/m0/s1
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| InChIKey |
IRKQLRPKWIMPEM-KIYNQFGBSA-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