General Information of the Compound
| Compound ID |
CP0497434
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-3-[bis-(4-fluoro-phenyl)-methoxy]-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C21H18F3NO5
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| Molecular Weight |
421.371
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| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)[C@]2(F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C21H18F3NO5/c22-12-5-1-10(2-6-12)16(11-3-7-13(23)8-4-11)30-15-9-14-17(20(14,24)18(26)27)21(15,25)19(28)29/h1-8,14-17H,9,25H2,(H,26,27)(H,28,29)/t14-,15-,17+,20-,21+/m1/s1
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| InChIKey |
ONHKZEJWXGDKCP-NROPHMHMSA-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