General Information of the Compound
| Compound ID |
CP0492972
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-3-[(S)-1-(3,4-dichloro-phenyl)-propoxy]-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C17H18Cl2FNO5
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| Molecular Weight |
406.237
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| Canonical SMILES |
CC[C@H](O[C@@H]1C[C@@H]2[C@@H]([C@@]2(F)C(O)=O)[C@]1(N)C(O)=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H18Cl2FNO5/c1-2-11(7-3-4-9(18)10(19)5-7)26-12-6-8-13(16(8,20)14(22)23)17(12,21)15(24)25/h3-5,8,11-13H,2,6,21H2,1H3,(H,22,23)(H,24,25)/t8-,11+,12-,13+,16-,17+/m1/s1
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| InChIKey |
DQUWONNIKAVHTA-WZJDNFATSA-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