General Information of the Compound
| Compound ID |
CP0905077
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| Compound Name |
rac-2-((S)-2-acetamido-3-carboxypropanamido)octanoic acid
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| Structure |
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| Formula |
C14H24N2O6
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| Molecular Weight |
316.354
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| Canonical SMILES |
CCCCCCC(NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)O
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| InChI |
InChI=1S/C14H24N2O6/c1-3-4-5-6-7-10(14(21)22)16-13(20)11(8-12(18)19)15-9(2)17/h10-11H,3-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)(H,21,22)/t10?,11-/m0/s1
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| InChIKey |
KOIPURIEXQHWOB-DTIOYNMSSA-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