General Information of the Compound
| Compound ID |
CP0374514
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-6-fluoro-3-(3-phenoxy-benzyloxy)-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C21H20FNO6
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| Molecular Weight |
401.39
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| Canonical SMILES |
N[C@@]1([C@H]2[C@@H](C[C@H]1OCc1cccc(Oc3ccccc3)c1)[C@]2(F)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C21H20FNO6/c22-20(18(24)25)15-10-16(21(23,17(15)20)19(26)27)28-11-12-5-4-8-14(9-12)29-13-6-2-1-3-7-13/h1-9,15-17H,10-11,23H2,(H,24,25)(H,26,27)/t15-,16-,17+,20-,21+/m1/s1
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| InChIKey |
HNMYCSRCDSCLRO-ZUKOONMSSA-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