General Information of the Compound
| Compound ID |
CP0499951
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| Compound Name |
(1R,2R,3R,5R,6R)-2-Amino-3-(3-amino-benzyloxy)-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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| Structure |
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| Formula |
C15H17FN2O5
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| Molecular Weight |
324.308
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| Canonical SMILES |
Nc1cccc(CO[C@@H]2C[C@@H]3[C@@H]([C@@]3(F)C(O)=O)[C@]2(N)C(O)=O)c1
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| InChI |
InChI=1S/C15H17FN2O5/c16-14(12(19)20)9-5-10(15(18,11(9)14)13(21)22)23-6-7-2-1-3-8(17)4-7/h1-4,9-11H,5-6,17-18H2,(H,19,20)(H,21,22)/t9-,10-,11+,14-,15+/m1/s1
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| InChIKey |
YTISARNMMVSRDV-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