General Information of the Compound
| Compound ID |
CP0341542
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| Compound Name |
2-[2-[[(2S)-2-[(2S)-1-acetylpyrrolidine-2-carbonyl]oxy-4-methylpentanoyl]amino]acetyl]oxyacetic acid
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| Structure |
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| Formula |
C17H26N2O8
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| Molecular Weight |
386.401
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| Canonical SMILES |
CC(C)C[C@H](OC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)OCC(O)=O
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| InChI |
InChI=1S/C17H26N2O8/c1-10(2)7-13(16(24)18-8-15(23)26-9-14(21)22)27-17(25)12-5-4-6-19(12)11(3)20/h10,12-13H,4-9H2,1-3H3,(H,18,24)(H,21,22)/t12-,13-/m0/s1
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| InChIKey |
DVVDJCTVFFTBDW-STQMWFEESA-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