General Information of the Compound
| Compound ID |
CP0856295
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| Compound Name |
rac-2-((S)-2-acetamido-3-carboxypropanamido)heptanoic acid
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| Structure |
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| Formula |
C13H22N2O6
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| Molecular Weight |
302.327
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| Canonical SMILES |
CCCCCC(NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)O
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| InChI |
InChI=1S/C13H22N2O6/c1-3-4-5-6-9(13(20)21)15-12(19)10(7-11(17)18)14-8(2)16/h9-10H,3-7H2,1-2H3,(H,14,16)(H,15,19)(H,17,18)(H,20,21)/t9?,10-/m0/s1
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| InChIKey |
PWCLUGXFFFXVND-AXDSSHIGSA-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