General Information of the Compound
| Compound ID |
CP0406579
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-3-(3-cyano-benzyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C16H15FN2O5
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| Molecular Weight |
334.303
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| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)C#N)[C@]2(F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C16H15FN2O5/c17-15(13(20)21)10-5-11(16(19,12(10)15)14(22)23)24-7-9-3-1-2-8(4-9)6-18/h1-4,10-12H,5,7,19H2,(H,20,21)(H,22,23)/t10-,11-,12+,15-,16+/m1/s1
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| InChIKey |
NFXNSDBWEJVJTC-POPZOMSYSA-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