General Information of the Compound
| Compound ID |
CP0522067
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| Compound Name |
(S,S)-beta-3 Fluoro-Benzylaspartate
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| Structure |
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| Formula |
C11H12FNO4
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| Molecular Weight |
241.218
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| Canonical SMILES |
[NH3+][C@@H]([C@H](Cc1cccc(F)c1)C([O-])=O)C(O)=O
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| InChI |
InChI=1S/C11H12FNO4/c12-7-3-1-2-6(4-7)5-8(10(14)15)9(13)11(16)17/h1-4,8-9H,5,13H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1
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| InChIKey |
VDRLEVBGTHZLMQ-IUCAKERBSA-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