General Information of the Compound
| Compound ID |
CP0494599
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-(3-nitro-benzyloxy)-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C15H15FN2O7
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| Molecular Weight |
354.29
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| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(c1)[N+]([O-])=O)[C@]2(F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C15H15FN2O7/c16-14(12(19)20)9-5-10(15(17,11(9)14)13(21)22)25-6-7-2-1-3-8(4-7)18(23)24/h1-4,9-11H,5-6,17H2,(H,19,20)(H,21,22)/t9-,10-,11+,14-,15+/m1/s1
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| InChIKey |
PZSGPXPIWKZATB-ZNLHFFCSSA-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